SCHEMBL2337797

SCHEMBL2337797

COc1ccc(-c2nc(N3[C@H](C)CCC[C@@H]3C)nc3c2CCNCC3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.63
HTR2C P28335 13/20 0.63
HTR2B P41595 12/20 0.63
HRH3 Q9Y5N1 3/20 0.46
HRH2 P25021 2/20 0.46
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
USP2 O75604 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HIF1A Q16665 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GLA P06280 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2336829 0.88 HTR2C (0.62) HTR2AHTR2CHTR2BHRH3HRH2
SCHEMBL2336954 0.88 HTR2A (0.61) HTR2AHTR2CHTR2BHRH3HRH2
SCHEMBL2335637 0.88 HTR2C (0.48) HTR2AHTR2CHTR2B
SCHEMBL2342835 0.87 HTR2A (0.59) HTR2AHTR2CHTR2BHRH3HRH2
SCHEMBL2338891 0.85 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL2339021 0.84 HTR2A (0.45) HTR2AHTR2CHTR2BALDH1A1KDM4E
SCHEMBL2344001 0.82 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL2337432 0.82 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL2344862 0.82 HTR2A (0.45) HTR2AHTR2CHTR2BALDH1A1HPGD
SCHEMBL2341735 0.80 HTR2C (0.60) HTR2AHTR2CHTR2BHRH3HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US claimed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-8829011-B2 2-aminopyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2014-09-09 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 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 (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-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS HTR2A, HTR6, HTR5A HTR2A 1/4885HTR2C 6/4885HTR2B 8/4885

“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.