SCHEMBL13536722

SCHEMBL13536722

CC(=O)N1CC=C(N2CCCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.40
CYP2C19 P33261 3/20 0.40
GFER P55789 2/20 0.40
CYP1A2 P05177 2/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
CASP6 P55212 1/20 0.38
GBA1 P04062 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
NOTUM Q6P988 2/20 0.36
GPR174 Q9BXC1 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
QDPR P09417 1/20 0.35
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL183929 0.84 QDPR (0.43) CYP3A4CYP2C19GFERCYP1A2MAPT
SCHEMBL2582180 0.82 QDPR (0.44) CYP3A4CYP2C19GFERCYP1A2MAPT
SCHEMBL9691696 0.79 L3MBTL1 (0.40) CYP3A4CYP2C19CYP1A2MAPTALDH1A1
SCHEMBL11394005 0.77 MAPT (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3077693 0.69 ALDH1A1 (0.33) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL19087029 0.69
SCHEMBL3771855 0.68 SMN1; SMN2 (0.47) GFERMAPTALDH1A1SMN1; SMN2CASP6
SCHEMBL11090300 0.68 L3MBTL1 (0.39) CYP3A4CYP2C19CYP1A2MAPTALDH1A1
SCHEMBL28001268 0.67
SCHEMBL27394473 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 CYP3A4 1064/4885CYP2C19 312/4885GFER 2910/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 CYP3A4 1064/4885CYP2C19 312/4885GFER 2910/4885

“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.