SCHEMBL183240

SCHEMBL183240

CC(=O)N1CCc2nc(C(C)C)nc(-c3ccc(F)cc3)c2C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
MAPK1 P28482 1/20 0.56
KCNK3 O14649 11/20 0.55
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
KCNH2 Q12809 1/20 0.46
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
CTSS P25774 1/20 0.44
BAZ2B Q9UIF8 1/20 0.43
NAMPT P43490 1/20 0.43
MAPT P10636 1/20 0.43

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
Water SCHEMBL9660273 0.83 MAPK1 (0.57) MAPK1KCNK3GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL9658199 0.83 MAPK1 (0.57) MAPK1KCNK3GABRG2GABRB3GABRA5
SCHEMBL183450 0.82 HTR2A (0.63) HTR2AHTR2CHTR2B
SCHEMBL183776 0.81 HTR2A (0.62) HTR2AHTR2CHTR2BKCNK3GABRG2
SCHEMBL9660193 0.79 MAPK1 (0.53) MAPK1KCNK3GABRG2GABRB3GABRA5
SCHEMBL183589 0.79 HTR2A (0.59) HTR2AHTR2CHTR2BMAPT
SCHEMBL183459 0.78 HTR2A (0.58) HTR2AHTR2CHTR2B
SCHEMBL183379 0.76 HTR2A (0.56) HTR2AHTR2CHTR2BMAPK1KCNK3
SCHEMBL183442 0.76 HTR2A (0.56) HTR2AHTR2CHTR2B
SCHEMBL183625 0.76 HTR2A (0.56) HTR2AHTR2CHTR2BKCNK3

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 7 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-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
EP-1928461-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-11 EP disclosed
WO-2007019083-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 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 (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 HTR2A 4/4885HTR2C 11/4885HTR2B 10/4885
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR1A, HTR5A, HTR6 HTR2A 4/4885HTR2C 11/4885HTR2B 10/4885

“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.