SCHEMBL193036

SCHEMBL193036

CC(C)(C)OC(=O)N1CCc2nc(Cc3ccccc3)nc(-c3ccc(F)cc3)c2C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 9/20 0.52
HTR2C P28335 9/20 0.52
HTR2B P41595 9/20 0.52
KCNK3 O14649 4/20 0.42
PDE10A Q9Y233 1/20 0.42
MTOR P42345 1/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
PRKCI P41743 1/20 0.40
C5AR1 P21730 1/20 0.40

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
SCHEMBL183306 0.89 HTR2A (0.53) HTR2AHTR2CHTR2B
SCHEMBL183613 0.86 PDE10A (0.44) HTR2CPDE10AMTORPRKCIC5AR1
SCHEMBL184023 0.82 HTR2A (0.51) HTR2AHTR2CHTR2BPDE10AMTOR
SCHEMBL194527 0.79 PDE10A (0.40) HTR2CPDE10AMTORPRKCIC5AR1
SCHEMBL14328064 0.78 P2RX7 (0.49) PDE10AMTORCKS1BSKP1SKP2
SCHEMBL1622444 0.78 CNR1 (0.42) HTR2AHTR2CHTR2BMTOR
SCHEMBL1621309 0.77 HTR2C (0.42) HTR2AHTR2CPRKCI
SCHEMBL27013367 0.77 PARP1 (0.43) MTORPRKCI
SCHEMBL27013365 0.77 P2RX3 (0.47) MTORPRKCI
SCHEMBL1261952 0.77 PARP1 (0.42) MTORPRKCI

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.