SCHEMBL16201907

SCHEMBL16201907

Cc1ccc(CC2Cc3c(cccc3-c3cccc(C(F)(F)F)c3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
CYP19A1 P11511 2/20 0.43
METAP1 P53582 1/20 0.41
MAPT P10636 1/20 0.41
S1PR5 Q9H228 1/20 0.39
GRM5 P41594 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PTPN5 P54829 1/20 0.38
GPR52 Q9Y2T5 1/20 0.37
PARP1 P09874 2/20 0.37
PIM1 P11309 1/20 0.36
PIM2 Q9P1W9 1/20 0.36

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
SCHEMBL16201916 0.90 HTR1A (0.43) HTR1AHTR7CYP19A1METAP1PTPN5
SCHEMBL16201908 0.89 HTR1A (0.47) HTR1AHTR7CYP19A1MAPTS1PR5
SCHEMBL16775649 0.87 MAOB (0.43) HTR1AHTR7CYP19A1METAP1S1PR5
SCHEMBL16193624 0.86 CFTR (0.45) HTR1AHTR7CYP19A1S1PR5MEN1
SCHEMBL16201915 0.85 HTR1A (0.41) HTR1AHTR7CYP19A1METAP1S1PR5
SCHEMBL16193531 0.85 MAPK14 (0.46) HTR1AHTR7CYP19A1MAPTS1PR5
SCHEMBL16201917 0.84 CYP19A1 (0.42) HTR1AHTR7CYP19A1MAPTGRM5
SCHEMBL16201909 0.83 CYP19A1 (0.50) CYP19A1MEN1KMT2AMAOB
SCHEMBL16201913 0.83 HTR1A (0.41) HTR1AHTR7CYP19A1METAP1MAPT
SCHEMBL16775661 0.82 GPR52 (0.46) HTR1AHTR7CYP19A1METAP1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9415027-B2 Therapeutic agents ALLERGAN, INC. (US) 2016-08-16 US disclosed
US-20150258048-A1 THERAPEUTIC AGENTS ALLERGAN, INC. 2015-09-17 US disclosed
US-9051294-B2 Therapeutic agents ALLERGAN, INC. (US) 2015-06-09 US disclosed
US-20140323558-A1 THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 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-20140323558-A1 THERAPEUTIC AGENTS PTGER4, PTGER2, PTGER1 HTR1A 503/4885HTR7 669/4885CYP19A1 2330/4885
US-20150258048-A1 THERAPEUTIC AGENTS PTGER4, PTGER2, PTGER1 HTR1A 503/4885HTR7 669/4885CYP19A1 2330/4885

“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.