SCHEMBL183539

SCHEMBL183539

CC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCC(C1OCCO1)C2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 12/20 0.56
▸ HTR2C P28335 12/20 0.56
▸ HTR2B P41595 12/20 0.56
▸ HMGCR P04035 1/20 0.36
▸ HRH2 P25021 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CSNK1D P48730 2/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ MAPK9 P45984 1/20 0.32
▸ MAPK10 P53779 1/20 0.32
▸ HTR7 P34969 2/20 0.31
▸ HTR3A P46098 1/20 0.31
▸ HTR5A P47898 1/20 0.31
▸ GRM5 P41594 1/20 0.31

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
SCHEMBL183820 0.80 HTR2A (0.62) HTR2AHTR2CHTR2BHMGCRHRH2
SCHEMBL3410880 0.80 HTR2A (0.62) HTR2AHTR2CHTR2BHMGCRHRH2
SCHEMBL183499 0.78 PTPN1 (0.32) —
SCHEMBL27742312 0.78 HTR2A (0.59) HTR2AHTR2CHTR2BHMGCRHRH2
SCHEMBL10272958 0.78 HTR2A (0.59) HTR2AHTR2CHTR2BHMGCRHRH2
SCHEMBL300772 0.77 HTR2A (0.58) HTR2AHTR2CHTR2BHMGCRHRH2
Hydrochloric Acid SCHEMBL183334 0.77 HTR2A (0.58) HTR2AHTR2CHTR2BHMGCRHRH2
Hydrochloric Acid SCHEMBL183333 0.76 HTR2A (0.57) HTR2AHTR2CHTR2BHMGCRHRH2
SCHEMBL183910 0.76 HTR2A (0.56) HTR2AHTR2CHTR2BHMGCRHRH2
SCHEMBL183610 0.74 HTR2A (0.75) HTR2AHTR2CHTR2BHRH2HRH3

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.

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