SCHEMBL183929

SCHEMBL183929

CC(=O)N1CC=C(N2CCCCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
NOTUM Q6P988 1/20 0.38
GBA1 P04062 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
GFER P55789 2/20 0.36
CYP1A2 P05177 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
GPR174 Q9BXC1 1/20 0.35
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CASP6 P55212 1/20 0.33
PTAFR P25105 1/20 0.33
HIF1A Q16665 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL2582180 0.98 QDPR (0.44) QDPRSMN1; SMN2NOTUMGBA1CYP3A4
SCHEMBL13536722 0.84 CYP3A4 (0.40) QDPRSMN1; SMN2NOTUMGBA1CYP3A4
SCHEMBL3771855 0.83 SMN1; SMN2 (0.47) QDPRSMN1; SMN2NOTUMGFERALDH1A1
SCHEMBL3077693 0.82 ALDH1A1 (0.33) SMN1; SMN2HRH3ALDH1A1MAPTGAA
SCHEMBL11090300 0.80 L3MBTL1 (0.39) SMN1; SMN2CYP3A4CYP2C19CYP1A2ALDH1A1
SCHEMBL11082543 0.78 MAPT (0.42) SMN1; SMN2GPR174ALDH1A1MAPTGAA
SCHEMBL14784250 0.77 SMN1; SMN2 (0.45) QDPRSMN1; SMN2GFERALDH1A1MAPT
SCHEMBL17518803 0.76 QDPR (0.39) QDPRNOTUMNAMPT
SCHEMBL1016428 0.76 PDK4 (0.47) SMN1; SMN2NAMPT
SCHEMBL10737322 0.74 HPGD (0.56) SMN1; SMN2GBA1ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618288-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-12-31 US disclosed
EP-1928461-B1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP disclosed
US-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2010-12-09 US disclosed
EP-2211615-A1 PYRIDOSULFONAMIDE DERIVATIVES AS PI3 KINASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-04 EP disclosed
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 US disclosed
US-7598255-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-10-06 US disclosed
WO-2009055418-A1 PYRIDOSULFONAMIDE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-04-30 WO disclosed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 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 (3 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-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 QDPR 57/4885SMN1; SMN2 2086/4885NOTUM 4551/4885
US-20100311736-A1 PYRIDOSULFONAMIDE DERIVATIVES AS P13 KINASE INHIBITORS PIKFYVE, JAK3, PI4KA QDPR 1706/4885SMN1; SMN2 1104/4885NOTUM 1552/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 QDPR 57/4885SMN1; SMN2 2086/4885NOTUM 4551/4885

“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.