SCHEMBL2338348

SCHEMBL2338348

Cc1ccc(-c2nc(N3CCS(=O)(=O)CC3)nc3c2CCNCC3)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.51
HTR2C P28335 17/20 0.51
HTR2B P41595 12/20 0.51
HTR1D P28221 2/20 0.44
HTR1E P28566 2/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 2/20 0.44
HTR3A P46098 1/20 0.44
HTR5A P47898 1/20 0.44

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
SCHEMBL2344931 0.88 HTR2A (0.48) HTR2AHTR2CHTR2B
SCHEMBL2342275 0.86 HTR2C (0.46) HTR2AHTR2CHTR2B
SCHEMBL2335004 0.86 HRH4 (0.41) HTR2AHTR2CHTR2BHTR6
SCHEMBL2339714 0.86 HTR2C (0.58) HTR2AHTR2CHTR2BHTR1DHTR1E
SCHEMBL2338980 0.83 HTR2C (0.58) HTR2AHTR2CHTR2BHTR1DHTR1E
SCHEMBL2333664 0.79 HTR2C (0.57) HTR2AHTR2CHTR2BHTR1DHTR1E
SCHEMBL2337589 0.78 HTR2A (0.48) HTR2AHTR2CHTR2BHTR1DHTR1E
SCHEMBL2337911 0.78 HTR2C (0.56) HTR2AHTR2CHTR2BHTR1DHTR1E
SCHEMBL2342243 0.77 HTR2C (0.55) HTR2AHTR2CHTR2BHTR1DHTR1E
SCHEMBL2334931 0.75 HTR2A (0.60) HTR2AHTR2CHTR2BHTR1DHTR1E

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-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
US-20110207717-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 US disclosed
WO-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 WO 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.