SCHEMBL763418

SCHEMBL763418

CCc1ccc2cnccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP19A1 P11511 3/20 0.54
TBXAS1 P24557 1/20 0.46
PDE10A Q9Y233 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
IMPDH2 P12268 2/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
APAF1 O14727 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PRMT3 O60678 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
AKT1 P31749 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Isoquinoline SCHEMBL5500814 0.93 CYP1A2 (0.69) CYP1A2CYP2A6CYP19A1TBXAS1PDE10A
SCHEMBL6114863 0.92 CYP1A2 (0.55) CYP1A2CYP2A6CYP19A1TBXAS1PDE10A
SCHEMBL31349743 0.85 CYP19A1 (0.51) CYP1A2CYP2A6CYP19A1TBXAS1PDE10A
SCHEMBL6114451 0.85 CYP19A1 (0.51) CYP1A2CYP2A6CYP19A1TBXAS1PDE10A
SCHEMBL6115360 0.82 CYP19A1 (0.49) CYP19A1TBXAS1HDAC3HDAC1HDAC2
SCHEMBL6114828 0.80 TDP1 (0.53) CYP19A1TBXAS1L3MBTL1
SCHEMBL10135547 0.80 CYP19A1 (0.48) CYP19A1TBXAS1PDE10AHDAC3HDAC1
SCHEMBL3144694 0.80 CYP19A1 (0.54) CYP19A1TBXAS1PDE10AHDAC3HDAC1
SCHEMBL5801109 0.80 CYP19A1 (0.54) CYP2A6CYP19A1TBXAS1AKT1
SCHEMBL22911613 0.80 CYP19A1 (0.54) CYP19A1TBXAS1PDE10AIMPDH2PRMT3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof BAUSCH + LOMB IRELAND LIMITED (IE) 2025-10-07 US disclosed
US-20240308965-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF JPMORGAN CHASE BANK, N.A., AS SUCCESSOR AGENT 2024-09-19 US disclosed
EP-4055013-B1 WDR5 INHIBITORS AND MODULATORS UNIV VANDERBILT (US) 2024-03-20 EP disclosed
EP-4313951-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF Novartis AG (CH) 2024-02-07 EP disclosed
WO-2023250513-A1 13-MEMBERED MACROLIDE COMPOUNDS FOR TREATING DISEASES MEDIATED BY ABNORMAL PROTEIN TRANSLATION ZIKANI THERAPEUTICS, INC. (US) 2023-12-28 WO disclosed
US-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof CITIBANK, N.A., AS NOTES COLLATERAL AGENT 2023-12-19 US disclosed
WO-2023227695-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
WO-2023227697-A1 NEW DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-11-30 WO disclosed
CN-117062804-A 1, 3-substituted cyclobutyl derivatives and their use 诺华股份有限公司 2023-11-14 CN disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20070293499-A1 Intracellular Kinase Inhibitors MANNKIND CORPORATION (US) 2007-12-20 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US disclosed
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2007-09-06 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients BRISTOL-MYERS SQUIBB COMPANY 2007-05-03 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
WO-2004072102-A2 BENZENE ACETAMIDE COMPOUNDS USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070293499-A1 Intracellular Kinase Inhibitors PI4KB, BTK, LTK CYP1A2 4877/4885CYP2A6 4869/4885CYP19A1 4710/4885
US-11845730-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 CYP1A2 1653/4885CYP2A6 1400/4885CYP19A1 1794/4885
US-12435040-B2 1,3-substituted cyclobutyl derivatives and uses thereof TRPV1, TRPV3, TRPV2 CYP1A2 1653/4885CYP2A6 1400/4885CYP19A1 1794/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 CYP1A2 2831/4885CYP2A6 2859/4885CYP19A1 4534/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 CYP1A2 4271/4885CYP2A6 4656/4885CYP19A1 4523/4885
US-20070099825-A1 ethyl 2-(biphenyl-4-yl)-6-(tert-butoxycarbonylamino)-2-methoxy-8-(2-nitrophenylsulfonyl)-5,16-dioxo-1,2,3,5,6,7,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[n]pyrrolo[2,1-c][1,4,8]triazacyclopentadecine-14a-carboxylate; viricide; synergistic with other active ingredients TERT, VIP, YWHAZ CYP1A2 2447/4885CYP2A6 1632/4885CYP19A1 1933/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 CYP1A2 409/4885CYP2A6 237/4885CYP19A1 1756/4885
US-20240308965-A1 1,3-SUBSTITUTED CYCLOBUTYL DERIVATIVES AND USES THEREOF TRPV1, TRPV3, TRPV2 CYP1A2 1653/4885CYP2A6 1400/4885CYP19A1 1794/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 CYP1A2 2229/4885CYP2A6 2388/4885CYP19A1 1045/4885
US-20070208054-A1 MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F12, F7, F2 CYP1A2 873/4885CYP2A6 515/4885CYP19A1 1391/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 CYP1A2 486/4885CYP2A6 107/4885CYP19A1 457/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.