SCHEMBL2619062

SCHEMBL2619062

NC(=O)c1cc(C2CC2)on1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 7/20 0.55
S1PR1 P21453 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMYD3 Q9H7B4 9/20 0.53
TSHR P16473 1/20 0.53
STAT1 P42224 2/20 0.50
STAT3 P40763 1/20 0.50

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
Hydrochloric Acid SCHEMBL28161316 0.98 S1PR3 (0.54) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL2799260 0.93 S1PR3 (0.60) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL21317622 0.91 S1PR3 (0.63) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL2799191 0.91 S1PR3 (0.63) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL2797162 0.90 S1PR3 (0.55) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL31643938 0.85 S1PR3 (0.42) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL28856869 0.84 S1PR3 (0.58) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL841342 0.82 S1PR3 (0.57) S1PR3S1PR1NPC1RAB9ASMYD3
SCHEMBL11721317 0.81 RAB9A (0.60) NPC1RAB9ASMYD3TSHRSTAT1
SCHEMBL13835610 0.81 RAB9A (0.56) S1PR3S1PR1NPC1RAB9ASMYD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3600312-B1 PIPERIDINYL- AND PIPERAZINYL-SUBSTITUTED HETEROAROMATIC CARBOXAMIDES AS MODULATORS OF GPR6 TAKEDA PHARMACEUTICALS CO (JP) 2023-05-17 EP claimed
EP-2376478-B1 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE NOVARTIS AG (CH) 2017-04-19 EP claimed
EP-2632458-B1 DOSING REGIMES FOR THE TREATMENT OF OCULAR VASCULAR DISEASE NOVARTIS AG (CH) 2015-08-12 EP claimed
EP-2632458-A1 DOSING REGIMES FOR THE TREATMENT OF OCULAR VASCULAR DISEASE Novartis AG (CH) 2013-09-04 EP claimed
US-20130197016-A1 DOSING REGIMES FOR THE TREATMENT OF OCULAR VASCULAR DISEASE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2013-08-01 US claimed
WO-2012055884-A1 DOSING REGIMES FOR THE TREATMENT OF OCULAR VASCULAR DISEASE NOVARTIS AG (CH) 2012-05-03 WO claimed
CN-1019397-B The method for preparing diphosphonic acid derivative YAMANOUCHI PHARMA CO LTD (JP) 1992-12-09 CN claimed
CN-88102021-A Diphosphonic acid derivative and contain the medicine of this derivative 1988-10-05 CN claimed
US-20230101819-A1 SMYD Inhibitors EPIZYME INC (US) 2023-03-30 US disclosed
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
EP-3193604-B1 SUBSTITUTED N-(PYRROLIDIN-3-YL)ISOXAZOLE-3-CARBOXAMIDE COMPOUNDS EPIZYME INC (US) 2021-06-16 EP disclosed
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS Epizyme, Inc. 2020-05-14 US disclosed
US-10577363-B2 Substituted piperidine compounds Epizyme, Inc. (US) 2020-03-03 US disclosed
US-20190322660-A1 SMYD INHIBITORS Epizyme, Inc. 2019-10-24 US disclosed
US-20120245187-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES NOVARTIS AG (CH) 2012-09-27 US disclosed
US-8242125-B2 Heterobicyclic carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2012-08-14 US disclosed
WO-2012055884-A1 DOSING REGIMES FOR THE TREATMENT OF OCULAR VASCULAR DISEASE NOVARTIS AG (CH) 2012-05-03 WO disclosed
US-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2012-04-26 US disclosed
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases NOVARTIS AG (CH) 2010-07-01 US disclosed
WO-2010066684-A2 Pyridyloxyindoles Inhibitors of VEGF-R2 and Use Thereof for Treatment of Disease NOVARTIS AG (CH) 2010-06-17 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 (8 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-20120101031-A1 MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS TMPRSS15, PRSS1, SPINT2 S1PR3 511/4885S1PR1 704/4885NPC1 100/4885
US-10577363-B2 Substituted piperidine compounds SMYD3, SMYD2, SNRPD3 S1PR3 91/4885S1PR1 222/4885NPC1 2214/4885
US-20120245187-A1 HETEROBICYCLIC CARBOXAMIDES AS INHIBITORS FOR KINASES CDK2, PHKG1, PHKG2 S1PR3 2755/4885S1PR1 2741/4885NPC1 4183/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 S1PR3 1458/4885S1PR1 2423/4885NPC1 3734/4885
US-20190322660-A1 SMYD INHIBITORS SMYD2, SMYD3, SMURF2 S1PR3 1395/4885S1PR1 2216/4885NPC1 3830/4885
US-20100168082-A1 Heterobicyclic Carboxamides as inhibitors for kinases CDK2, PHKG1, PHKG2 S1PR3 2755/4885S1PR1 2741/4885NPC1 4183/4885
US-20200148650-A1 ISOXAZOLE CARBOXAMIDE COMPOUNDS SMYD3, SMYD2, SNRPD3 S1PR3 1484/4885S1PR1 2906/4885NPC1 3842/4885
US-20230101819-A1 SMYD Inhibitors SMYD3, SMYD2, SMURF2 S1PR3 1388/4885S1PR1 2362/4885NPC1 3716/4885

“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.