SCHEMBL106944

SCHEMBL106944

CCOC(=O)/C=C(\C)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 10/20 0.41
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
ALOX12 P18054 1/20 0.41
HPGD P15428 3/20 0.40
TSHR P16473 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
THRB P10828 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
GAA P10253 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
NOS3 P29474 1/20 0.37

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
SCHEMBL1778153 1.00 NPSR1 (0.46) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL535867 1.00 NPSR1 (0.46) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL7975644 0.98 NPSR1 (0.44) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL11719535 0.98 NPSR1 (0.44) NPSR1ALDH1A1LMNAUSP2ALOX12
SCHEMBL11721142 0.86 CYP1A2 (0.44) NPSR1ALDH1A1TSHRL3MBTL1RAB9A
SCHEMBL27615284 0.84 TSHR (0.59) NPSR1ALDH1A1LMNAHPGDTSHR
SCHEMBL13992867 0.83 NPSR1 (0.41) NPSR1ALDH1A1L3MBTL1THRBATM
SCHEMBL13994790 0.83 NPSR1 (0.41) NPSR1ALDH1A1L3MBTL1THRBATM
SCHEMBL9370225 0.81 ALDH1A1 (0.38) ALDH1A1LMNAUSP2ALOX12HPGD
SCHEMBL5996150 0.81 ALDH1A1 (0.38) ALDH1A1LMNAUSP2ALOX12HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260109686-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS AZKARRA THERAPEUTICS, INC. (US) 2026-04-23 US disclosed
EP-4594314-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS Azkarra Therapeutics, Inc. (US) 2025-08-06 EP disclosed
CN-119968364-A Pyridazin-3 (2H) -one and pyridin-2 (1H) -one PARP inhibitor compounds 阿兹卡拉疗法公司 2025-05-09 CN disclosed
US-20240279218-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2024-08-22 US disclosed
WO-2024073133-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS AZKARRA THERAPEUTICS, INC. (US) 2024-04-04 WO disclosed
CN-117285525-A Novel isoxazolyl ether derivatives as GABAA alpha 5PAM 豪夫迈·罗氏有限公司 2023-12-26 CN disclosed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
CN-109923113-B Isoxazolyl ether derivatives as GABA A alpha 5 PAM 豪夫迈·罗氏有限公司 2023-10-13 CN disclosed
US-11739066-B2 Method for fluoroalkylation of enamines ARXADA AG (CH) 2023-08-29 US disclosed
US-11739066-B2 Method for fluoroalkylation of enamines ARXADA AG (CH) 2023-08-29 US disclosed
US-20100286116-A1 THIAZOLES ROCHE PALO ALTO LLC 2010-11-11 US disclosed
US-20100256127-A1 SUBSTITUTED ISOXAZOLES ROCHE PALO ALTO LLC 2010-10-07 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7612069-B2 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-03 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-7273882-B2 Aminoacetamide acyl guanidines as β-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-25 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-01-18 US disclosed
WO-2007002220-A2 AMINOACETAMIDE ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
WO-2007002214-A2 ACYL GUANIDINES AS BETA-SECRETASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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 (7 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 NPSR1 266/4885ALDH1A1 1215/4885LMNA 3204/4885
US-20100286116-A1 THIAZOLES GABRA5, GABRA1, GABRA4 NPSR1 266/4885ALDH1A1 473/4885LMNA 3804/4885
US-20100256127-A1 SUBSTITUTED ISOXAZOLES GABRA5, GABRA1, GABRA3 NPSR1 167/4885ALDH1A1 426/4885LMNA 4042/4885
US-20260109686-A1 PYRIDAZIN-3(2H)-ONE AND PYRIDIN-2(1H)-ONE PARP INHIBITOR COMPOUNDS PARP2, PARP1, PARP11 NPSR1 1953/4885ALDH1A1 1213/4885LMNA 357/4885
US-20070015754-A1 Acyl guanidines as beta-secretase inhibitors BACE1, APP, BACE2 NPSR1 2186/4885ALDH1A1 2144/4885LMNA 961/4885
US-11739066-B2 Method for fluoroalkylation of enamines HNMT, PNMT, INMT NPSR1 1681/4885ALDH1A1 495/4885LMNA 1971/4885
US-20240279218-A1 ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB1, GABRA1 NPSR1 145/4885ALDH1A1 808/4885LMNA 2024/4885

“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.