SCHEMBL2431337

SCHEMBL2431337

CCC(C(N)=O)c1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.51
HTT P42858 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 2/20 0.49
CYP17A1 P05093 3/20 0.45
CYP19A1 P11511 2/20 0.45
EPHX1 P07099 1/20 0.42
THRB P10828 1/20 0.40
CYP2C19 P33261 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
MAPT P10636 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39

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
SCHEMBL11006533 0.85 LMNA (0.43) LMNAHTTSMN1; SMN2GAACYP17A1
SCHEMBL1226388 0.82 LMNA (0.57) LMNAHTTSMN1; SMN2GAACYP17A1
SCHEMBL30634131 0.82 MMP9 (0.43) LMNAHTTSMN1; SMN2GAACYP17A1
SCHEMBL14889652 0.81 CYP2C19 (0.40) LMNAHTTSMN1; SMN2GAACYP17A1
SCHEMBL27318062 0.81 LMNA (0.51) LMNAHTTSMN1; SMN2GAACYP17A1
SCHEMBL5670246 0.81 LMNA (0.51) LMNAHTTSMN1; SMN2GAACYP17A1
Fenbutyramide SCHEMBL1478462 0.80 EPHX1 (0.63) LMNAHTTSMN1; SMN2GAAEPHX1
Fenbutyramide SCHEMBL1477997 0.80 EPHX1 (0.63) LMNAHTTSMN1; SMN2GAAEPHX1
Fenbutyramide SCHEMBL232920 0.80 EPHX1 (0.63) LMNAHTTSMN1; SMN2GAAEPHX1
SCHEMBL18248573 0.80 MMP9 (0.47) LMNAHTTSMN1; SMN2GAACYP2C19

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113087654-B Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2022-12-23 CN claimed
CN-113087654-A Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2021-07-09 CN claimed
WO-2024008196-A1 CLASS OF AMIDE COMPOUNDS AND PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 中国科学院上海药物研究所 2024-01-11 WO disclosed
CN-113087654-B Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2022-12-23 CN disclosed
CN-113087654-B Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2022-12-23 CN disclosed
CN-113087654-A Preparation method of piperidine-4-butylamine 苏州昊帆生物股份有限公司 2021-07-09 CN disclosed
CN-106660954-A Substituted azaspiro(4.5)decane derivatives 格吕伦塔尔有限公司 2017-05-10 CN disclosed
US-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2011-09-22 US disclosed
CN-1324012-C TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2007-07-04 CN disclosed
CN-1307159-C TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2007-03-28 CN disclosed
CN-1284771-C TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2006-11-15 CN disclosed
EP-1626725-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS Synta Pharmaceuticals Corporation (US) 2006-02-22 EP disclosed
CN-1590374-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 CN disclosed
CN-1590375-A TNF-alpha prodn. inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2005-03-09 CN disclosed
WO-2005000404-A2 HETEROCYCLIC COMPOUNDS FOR PREVENTING AND TREATING DISORDERS ASSOCIATED WITH EXCESSIVE BONE LOSS SYNTA PHARMACEUTICALS, CORP. (US) 2005-01-06 WO disclosed
CN-1432000-A TNF-alpha production inhibitors SANTEN PHARMACEUTICAL CO LTD (JP) 2003-07-23 CN 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 (1 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-20110230428-A1 CERTAIN KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, MAOA LMNA 3449/4885HTT 26/4885SMN1; SMN2 958/4885

“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.