Sugi Predict

Sugi Predict / Compounds / SCHEMBL4611341

SCHEMBL4611341

SCHEMBL4611341

COc1ccc(C(=O)C2CCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.75
▸ RAB9A P51151 2/20 0.75
▸ POLB P06746 1/20 0.65
▸ MAPK1 P28482 1/20 0.62
▸ CHRM2 P08172 3/20 0.61
▸ CHRM4 P08173 3/20 0.61
▸ CHRM1 P11229 3/20 0.61
▸ CHRM3 P20309 3/20 0.61
▸ CASP3 P42574 1/20 0.60
▸ SENP8 Q96LD8 1/20 0.60
▸ SENP7 Q9BQF6 1/20 0.60
▸ SENP6 Q9GZR1 1/20 0.60
▸ ALDH1A1 P00352 4/20 0.58
▸ LMNA P02545 2/20 0.58
▸ KDM2B Q8NHM5 4/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.57
▸ HSD11B1 P28845 1/20 0.57
▸ MGLL Q99685 1/20 0.57
▸ SRD5A2 P31213 1/20 0.57
▸ KMT2A Q03164 2/20 0.55

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
SCHEMBL9135757 1.00 NPC1 (0.75) NPC1RAB9APOLBMAPK1CHRM2
SCHEMBL9136904 0.98 NPC1 (0.77) NPC1RAB9APOLBMAPK1CHRM2
SCHEMBL3367257 0.95 NPC1 (0.77) NPC1RAB9APOLBMAPK1CHRM2
SCHEMBL5350428 0.91 NPC1 (0.89) NPC1RAB9APOLBMAPK1CHRM2
SCHEMBL1148371 0.91 NPC1 (0.89) NPC1RAB9APOLBMAPK1CHRM2
SCHEMBL5350433 0.91 NPC1 (0.89) NPC1RAB9APOLBMAPK1CHRM2
Bicarbonate SCHEMBL11475731 0.87 NPC1 (0.83) NPC1RAB9APOLBMAPK1CHRM2
SCHEMBL1036177 0.84 MEN1 (0.61) NPC1RAB9APOLBCHRM2CHRM4
SCHEMBL1039910 0.84 MEN1 (0.61) NPC1RAB9APOLBCHRM2CHRM4
SCHEMBL4675008 0.83 NPC1 (0.71) NPC1RAB9APOLBMAPK1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249447-B1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol ALEMBIC LTD (IN) 2008-10-22 — — EP claimed
US-6756502-B2 AS CHEMICAL INTERMEDIATE IN PREPARATION OF VENLAFAXINE ALEMBIC LIMITED (IN) 2004-06-29 — — US claimed
US-20030195376-A1 Novel intermediate and processes for its preparation and conversion into a pharmacologically-active agent ALEMBIC LIMITED (A CORPORATION OF INDIA) (IN) 2003-10-16 — — US claimed
EP-1249447-A1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol Alembic Limited (IN) 2002-10-16 — — EP claimed
CN-109369406-B Photocatalytic synthesis method and application of 1-hydroxycyclohexyl phenyl ketone compound 甘肃金盾化工有限责任公司 2021-12-14 — — CN disclosed
CN-109369406-A A kind of photocatalytic synthesis method of 1- hydroxycyclohexyl phenyl ketone class compound and its application 甘肃金盾化工有限责任公司 2019-02-22 — — CN disclosed
US-RE46942-E1 4-piperidinyl compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2018-07-10 — — US disclosed
US-9163003-B2 4-piperidinyl compounds for use as tankyrase inhibitors NOVARTIS AG (CH) 2015-10-20 — — US disclosed
US-20150126513-A1 4-PIPERIDINYL COMPOUNDS FOR USE AS TANKYRASE INHIBITORS NOVARTIS AG (CH) 2015-05-07 — — US disclosed
EP-1249447-B1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol ALEMBIC LTD (IN) 2008-10-22 — — EP disclosed
EP-1249447-B1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol ALEMBIC LTD (IN) 2008-10-22 — — EP disclosed
US-6756502-B2 AS CHEMICAL INTERMEDIATE IN PREPARATION OF VENLAFAXINE ALEMBIC LIMITED (IN) 2004-06-29 — — US disclosed
EP-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 — — EP disclosed
US-5399698-A Lipoxygenase inhibitor intermediates BAYER AKTIENGESELLSCHAFT (DE) 1995-03-21 — — US disclosed
US-5231103-A Lipoxygenase inhibitors as antiinflammatory agents, antiasthma and cardiovascular disorders BAYER AKTIENGESELLSCHAFT (DE) 1993-07-27 — — US disclosed
EP-0299379-B1 PENTADIENAMIDE PAF-ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1993-04-21 — — EP disclosed
EP-0525571-A1 Quinolin-2-yl-methoxybenzylhydroxyureas as lipoxygenase inhibitors BAYER AG (DE) 1993-02-03 — — EP disclosed
US-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 — — US disclosed
EP-0299379-A1 Pentadienamide PAF-antagonists F. HOFFMANN-LA ROCHE AG (CH) 1989-01-18 — — EP disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 — — 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 (2 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-20150126513-A1 4-PIPERIDINYL COMPOUNDS FOR USE AS TANKYRASE INHIBITORS TNKS1BP1, WNT1, TNKS NPC1 2814/4885RAB9A 2496/4885POLB 2767/4885
US-20030195376-A1 Novel intermediate and processes for its preparation and conversion into a pharmacologically-active agent CYP3A4, CYP4X1, CYP2F1 NPC1 2422/4885RAB9A 3006/4885POLB 1649/4885

“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.