SCHEMBL183306

SCHEMBL183306

CC(C)(C)OC(=O)N1CCc2nc(Cc3ccc(F)cc3)nc(-c3ccc(F)cc3)c2CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.53
HTR2C P28335 9/20 0.53
HTR2B P41595 9/20 0.53
GRIA1 P42261 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
KDM1A O60341 1/20 0.40
MMP13 P45452 1/20 0.40
P2RX7 Q99572 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
HDAC4 P56524 1/20 0.39

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
SCHEMBL193036 0.89 HTR2A (0.52) HTR2AHTR2CHTR2B
SCHEMBL1621309 0.86 HTR2C (0.42) HTR2AHTR2CCNR1CNR2KDM1A
SCHEMBL1622212 0.85 CNR1 (0.43) HTR2AHTR2CHTR2BCNR1CNR2
SCHEMBL1622444 0.85 CNR1 (0.42) HTR2AHTR2CHTR2BGRIA1CNR1
SCHEMBL1622909 0.82 CNR1 (0.39) CNR1CNR2KDM1AMMP13P2RX7
SCHEMBL27013403 0.81 PARP1 (0.39) HTR2AHTR2CHTR2BCNR1CNR2
SCHEMBL27013367 0.80 PARP1 (0.43) CNR1CNR2KDM1AGRM5GRM1
SCHEMBL183689 0.80 HTR2C (0.66) HTR2AHTR2CHTR2B
SCHEMBL1261952 0.80 PARP1 (0.42) CNR1CNR2KDM1AGRM5GRM1
SCHEMBL1622736 0.79 SPR (0.46) HTR2CCNR1CNR2KDM1AGRM5

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 5 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
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.