SCHEMBL2342575

SCHEMBL2342575

C[C@@H]1CCC[C@H](C)N1c1nc2c(c(-c3ccc(Cl)c(F)c3)n1)CCNCC2

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 16/20 0.43
HTR2C P28335 16/20 0.43
HTR2B P41595 16/20 0.43
SIRT1 Q96EB6 1/20 0.37
KDM1A O60341 1/20 0.35
GRM2 Q14416 2/20 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
SCHEMBL2344862 0.91 HTR2A (0.45) HTR2AHTR2CHTR2BSIRT1
SCHEMBL2337432 0.91 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL2342560 0.89 HTR2A (0.44) HTR2AHTR2CHTR2BKDM1A
SCHEMBL2337809 0.87 HTR2A (0.46) HTR2AHTR2CHTR2B
SCHEMBL2339021 0.86 HTR2A (0.45) HTR2AHTR2CHTR2BKDM1A
SCHEMBL2342835 0.85 HTR2A (0.59) HTR2AHTR2CHTR2B
SCHEMBL2336954 0.82 HTR2A (0.61) HTR2AHTR2CHTR2B
SCHEMBL2338891 0.81 HTR2A (0.49) HTR2AHTR2CHTR2B
SCHEMBL2340726 0.80 HTR2A (0.43) HTR2AHTR2CHTR2B
SCHEMBL2337797 0.79 HTR2A (0.63) HTR2AHTR2CHTR2B

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