SCHEMBL464005

SCHEMBL464005

COC(=O)N1CCc2ccccc2C1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.67
SMN1; SMN2 Q16637 3/20 0.60
TAAR1 Q96RJ0 3/20 0.60
ABHD6 Q9BV23 1/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
RAB9A P51151 9/20 0.59
NPC1 O15118 8/20 0.59
TP53 P04637 1/20 0.58
TAS1R3 Q7RTX0 2/20 0.56
TAS1R1 Q7RTX1 2/20 0.56
TAS1R2 Q8TE23 2/20 0.56
ALDH1A1 P00352 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
HPGD P15428 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL30056523 1.00 NOTUM (0.67) NOTUMSMN1; SMN2TAAR1ABHD6MEN1
SCHEMBL6097273 0.91 NOTUM (0.58) NOTUMSMN1; SMN2TAAR1ABHD6MEN1
SCHEMBL8192396 0.87 NOTUM (0.61) NOTUMSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL16268868 0.83 ALDH1A1 (0.64) NOTUMSMN1; SMN2TAAR1ABHD6MEN1
SCHEMBL20899542 0.83 NOTUM (0.62) NOTUMSMN1; SMN2TAAR1ABHD6MEN1
SCHEMBL28208068 0.83 NOTUM (0.62) NOTUMSMN1; SMN2TAAR1ABHD6MEN1
SCHEMBL28253827 0.83 NOTUM (0.62) NOTUMSMN1; SMN2TAAR1ABHD6MEN1
SCHEMBL6102363 0.82 ABHD6 (0.68) NOTUMSMN1; SMN2TAAR1ABHD6MEN1
SCHEMBL29369046 0.82 ESR2 (0.70) NOTUMTAAR1ABHD6MEN1MAPT
SCHEMBL1202402 0.82 ESR2 (0.70) NOTUMTAAR1ABHD6MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6861527-B1 Nitration in a static micromixer MERCK PATENT GMBH (DE) 2005-03-01 US claimed
EP-1200375-B1 NITRATION IN A STATIC MICROMIXER MERCK PATENT GMBH (DE) 2004-09-22 EP claimed
JP-2003506340-A 2003-02-18 JP claimed
EP-1200375-A2 NITRATION IN A STATIC MICROMIXER MERCK PATENT GmbH (DE) 2002-05-02 EP claimed
WO-2001009065-A2 NITRATION IN A STATIC MICROMIXER MERCK PATENT GMBH (DE) 2001-02-08 WO claimed
WO-2023207911-A1 BICYCLIC HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND APPLICATION 上海医药集团股份有限公司 2023-11-02 WO disclosed
WO-2022120048-A1 HDAC INHIBITORS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2022-06-09 WO disclosed
WO-2021142444-A2 PHOTOREDOX CATALYSTS AND METHODS OF USING SUCH CATALYSTS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-07-15 WO disclosed
WO-2021142444-A2 PHOTOREDOX CATALYSTS AND METHODS OF USING SUCH CATALYSTS COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2021-07-15 WO disclosed
WO-2019242599-A1 TETRAHYDRO ISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 浙江海正药业股份有限公司 2019-12-26 WO disclosed
EP-2216312-B1 PROCESS FOR PRODUCING ORGANIC COMPOUND M TECHNIQUE CO LTD (JP) 2019-05-01 EP disclosed
US-10172846-B2 HCV NS-3 serine protease inhibitors MEDIVIR AB (SE) 2019-01-08 US disclosed
US-6831080-B2 E.g., 3-(2-fluorophenyl)-N-(1-(3-morpholin-4-yl)phenyl)-propyl)acrylamide; disorders responsive to opening of KCNQ potassium channels; analgesics; migraine, bipolar disorders, anticonvulsants, antiepileptic, anxiolytic agents BRISTOL-MYERS SQUIBB COMPANY 2004-12-14 US disclosed
EP-1200375-B1 NITRATION IN A STATIC MICROMIXER MERCK PATENT GMBH (DE) 2004-09-22 EP disclosed
WO-2004026896-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2004-04-01 WO disclosed
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
EP-1200375-A2 NITRATION IN A STATIC MICROMIXER MERCK PATENT GmbH (DE) 2002-05-02 EP disclosed
WO-2001009065-A2 NITRATION IN A STATIC MICROMIXER MERCK PATENT GMBH (DE) 2001-02-08 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 (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-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 NOTUM 2404/4885SMN1; SMN2 2918/4885TAAR1 1744/4885
US-10172846-B2 HCV NS-3 serine protease inhibitors HPN, CPN1, PRSS1 NOTUM 2422/4885SMN1; SMN2 3361/4885TAAR1 4409/4885

“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.