SCHEMBL762186

SCHEMBL762186

CC(C)(C)c1nccc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.64
TSHR P16473 2/20 0.64
CYP2C19 P33261 1/20 0.64
CFTR P13569 1/20 0.58
GOPC Q9HD26 1/20 0.58
CYP2A6 P11509 2/20 0.55
PLAU P00749 2/20 0.50
F12 P00748 1/20 0.50
NCF1 P14598 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
BACE1 P56817 1/20 0.50
SSTR1 P30872 1/20 0.46
SSTR4 P31391 1/20 0.46
HRH4 Q9H3N8 1/20 0.42
PLG P00747 1/20 0.42
GRM4 Q14833 1/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41

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
SCHEMBL30360261 1.00 CYP3A4 (0.64) CYP3A4TSHRCYP2C19CFTRGOPC
SCHEMBL30360262 1.00 CYP3A4 (0.64) CYP3A4TSHRCYP2C19CFTRGOPC
SCHEMBL26097343 0.86 CYP3A4 (0.62) CYP3A4TSHRCYP2C19CFTRGOPC
SCHEMBL28223755 0.84 CYP3A4 (0.70) CYP3A4TSHRCYP2C19CFTRGOPC
SCHEMBL26509260 0.84 CYP3A4 (0.60) CYP3A4TSHRCYP2C19CFTRGOPC
SCHEMBL30018408 0.84 CYP3A4 (0.60) CYP3A4TSHRCYP2C19CFTRGOPC
SCHEMBL4379626 0.84 CYP3A4 (0.60) CYP3A4TSHRCYP2C19CFTRGOPC
Hydrochloric Acid SCHEMBL30017443 0.82 CYP3A4 (0.58) CYP3A4TSHRCYP2C19CFTRGOPC
SCHEMBL19659677 0.81 CYP3A4 (0.61) CYP3A4TSHRCYP2C19CFTRGOPC
SCHEMBL3294907 0.79 CFTR (0.58) CYP3A4TSHRCYP2C19CFTRGOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229192-A A kind of deuterated complex of iridium and its preparation method and application 南京佳诺霖光电科技有限公司 2019-09-13 CN claimed
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors FORMA THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 US disclosed
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE BGI SHENZHEN (CN) 2024-02-29 US disclosed
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-7378422-B2 Inhibitors of serine proteases, particularly HCV NS3-NS4A protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-05-27 US disclosed
US-20080107623-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080107625-A1 Inhibitors of Hepatitis C Virus BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 US disclosed
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold ASTRAZENECA AB (SE) 2007-09-20 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-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US disclosed
US-7202247-B2 1,3-bis-(substituted-phenyl)-2-propyn-1-ones and their use to treat disorders ATHEROGENICS, INC. (US) 2007-04-10 US 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-20080107623-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP CYP3A4 1719/4885TSHR 1242/4885CYP2C19 1844/4885
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 CYP3A4 2114/4885TSHR 691/4885CYP2C19 1600/4885
US-20240228484-A1 MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP3A4 1038/4885TSHR 730/4885CYP2C19 635/4885
US-11912713-B2 7-membered aza-heterocyclic containing delta-opioid receptor modulating compounds, methods of using and making the same OPRD1, OPRM1, OPRK1 CYP3A4 783/4885TSHR 498/4885CYP2C19 388/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 CYP3A4 856/4885TSHR 909/4885CYP2C19 558/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CYP3A4 1069/4885TSHR 1023/4885CYP2C19 746/4885
US-20070219254-A1 Therapeutic Compounds: Pyridine N-Oxide Scaffold OPRM1, OPRL1, OPRD1 CYP3A4 211/4885TSHR 2104/4885CYP2C19 316/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 CYP3A4 92/4885TSHR 1673/4885CYP2C19 234/4885
US-20080107625-A1 Inhibitors of Hepatitis C Virus HAVCR2, HCCS, VIP CYP3A4 1719/4885TSHR 1242/4885CYP2C19 1844/4885
US-20240067673-A1 MODIFIED NUCLEOSIDE OR NUCLEOTIDE NT5C3B, NT5E, NT5C2 CYP3A4 2825/4885TSHR 2653/4885CYP2C19 2775/4885
US-12043623-B2 Purinones as ubiquitin-specific protease 1 inhibitors USP1, UBA1, UBXN1 CYP3A4 1997/4885TSHR 3937/4885CYP2C19 2166/4885

“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.