SCHEMBL183115

SCHEMBL183115

COc1ccc(-c2nc(C(C)C)nc3c2CNCC3)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.62
HTR2C P28335 14/20 0.62
HTR2B P41595 14/20 0.62
HRH2 P25021 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
HTR7 P34969 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
THRB P10828 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
RECQL P46063 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL183531 0.88 HTR2A (0.76) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL182783 0.86 HTR2A (0.66) HTR2AHTR2CHTR2BHTR7
SCHEMBL183466 0.85 HTR2A (0.53) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL183241 0.85 HTR2A (0.85) HTR2AHTR2CHTR2BHTR7
SCHEMBL183569 0.85 HTR2A (0.64) HTR2AHTR2CHTR2BHTR7
SCHEMBL183544 0.84 HTR2C (0.64) HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL183725 0.84 HTR2A (0.83) HTR2AHTR2CHTR2BHTR7
SCHEMBL183557 0.83 HTR2A (0.74) HTR2AHTR2CHTR2BHRH2HRH3
SCHEMBL13540812 0.81 HTR2A (0.64) HTR2AHTR2CHTR2B
SCHEMBL183376 0.81 HTR2A (0.64) 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 19 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 claimed
EP-1928461-B1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP claimed
US-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 US claimed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US claimed
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
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-20100016281-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-01-21 US 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-7598255-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-10-06 US disclosed
US-7598255-B2 Pyrimidine compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-10-06 US disclosed
EP-1928461-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-11 EP disclosed
WO-2007019083-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 WO disclosed
WO-2007019083-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 WO disclosed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 US disclosed
US-20070032481-A1 PYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2007-02-08 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.