SCHEMBL150588

SCHEMBL150588

O=C(O)C1(c2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC6A3 Q01959 4/20 0.44
SLC6A4 P31645 3/20 0.44
P2RX7 Q99572 2/20 0.43
UGCG Q16739 7/20 0.43
CYP3A4 P08684 6/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR55 Q9Y2T6 1/20 0.41
TP53 P04637 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 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
SCHEMBL31759399 1.00 ALDH1A1 (0.47) ALDH1A1TSHRCASP1SMN1; SMN2SLC6A3
SCHEMBL9480750 0.93 SLC6A4 (0.49) ALDH1A1TSHRCASP1SMN1; SMN2SLC6A3
SCHEMBL11094983 0.89 TSHR (0.43) ALDH1A1TSHRCASP1SMN1; SMN2SLC6A3
SCHEMBL134852 0.85 ALDH1A1 (0.47) ALDH1A1TSHRCASP1SMN1; SMN2SLC6A3
SCHEMBL31759347 0.84 CA1 (0.43) ALDH1A1TSHRCASP1SMN1; SMN2P2RX7
SCHEMBL3708554 0.84 ALDH1A1 (0.55) ALDH1A1TSHRCASP1SMN1; SMN2SLC6A3
SCHEMBL1952491 0.84 ALDH1A1 (0.46) ALDH1A1TSHRCASP1SMN1; SMN2SLC6A3
SCHEMBL348608 0.82 AKR1C3 (0.49) CYP3A4MEN1KMT2AAKR1C3AKR1C2
SCHEMBL21903309 0.82 AKR1C3 (0.39) ALDH1A1TSHRCASP1SMN1; SMN2P2RX7
SCHEMBL31759338 0.82 AKR1C3 (0.49) CYP3A4MEN1KMT2AAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103687860-B As P2X7Heterocyclic amide derivatives of receptor antagonists 埃科特莱茵药品有限公司 2016-06-08 CN claimed
EP-2734526-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2016-04-06 EP claimed
US-9221832-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2015-12-29 US claimed
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2014-06-12 US claimed
EP-2734526-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-05-28 EP claimed
WO-2013014587-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-01-31 WO claimed
US-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2026-01-22 US disclosed
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2025-04-22 US disclosed
EP-4474017-A2 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
EP-3837263-B1 NEW HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN LA ROCHE (CH) 2024-07-03 EP disclosed
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-05-09 US disclosed
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors HOFFMANN-LA ROCHE INC. (US) 2023-10-31 US disclosed
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-02-16 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO disclosed
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 US disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
EP-0240257-A2 Compounds and pharmaceutical preparations having calcium - regulatory activity University of Lancaster (GB) 1987-10-07 EP 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-20260022130-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LIPA, LPL ALDH1A1 1338/4885TSHR 1083/4885CASP1 1881/4885
US-12281124-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL ALDH1A1 525/4885TSHR 1624/4885CASP1 2222/4885
US-20240150373-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL ALDH1A1 525/4885TSHR 1624/4885CASP1 2222/4885
US-20140163035-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX3, P2RX1 ALDH1A1 2258/4885TSHR 332/4885CASP1 548/4885
US-11802133-B2 Heterocyclic compounds as monoacylglycerol lipase inhibitors LIPC, LPL, MGLL ALDH1A1 525/4885TSHR 1624/4885CASP1 2222/4885
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase TNF, MMP1, ADAMTS1 ALDH1A1 438/4885TSHR 4096/4885CASP1 352/4885
US-20230050901-A1 HETEROCYCLIC COMPOUNDS AS MONOACYLGLYCEROL LIPASE INHIBITORS LIPC, LPL, MGLL ALDH1A1 525/4885TSHR 1624/4885CASP1 2222/4885

“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.