SCHEMBL4601401

SCHEMBL4601401

O=CCc1c[nH]c2cc(F)c(F)cc12

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.65
HTR1A P08908 2/20 0.39
MPO P05164 5/20 0.39
HTR2A P28223 3/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
KMT2A Q03164 1/20 0.38
HTR2B P41595 1/20 0.38
IDO1 P14902 1/20 0.38
TSHR P16473 1/20 0.37
HTR2C P28335 1/20 0.36
MTNR1A P48039 1/20 0.36
TDO2 P48775 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
SCHEMBL24358682 0.79 GPR84 (0.71) GPR84HTR1AMPOHTR2ATRPM8
SCHEMBL5793206 0.79 GPR84 (0.67) GPR84HTR1AMPOHTR2ATRPM8
SCHEMBL25294641 0.78 GPR84 (0.40) GPR84HTR1AMPOHTR2ATRPM8
SCHEMBL13715692 0.74 GPR84 (0.69) GPR84HTR1AMPOHTR2ATRPM8
SCHEMBL2539018 0.74 GPR84 (0.69) GPR84HTR1AMPOHTR2ATRPM8
SCHEMBL29651073 0.74 TSHR (0.67) GPR84MPOKMT2AHTR2BTSHR
SCHEMBL14484644 0.74 TSHR (0.67) GPR84MPOKMT2AHTR2BTSHR
Hydrochloric Acid SCHEMBL2532837 0.73 HTR1A (0.68) GPR84HTR1AMPOHTR2ATRPM8
SCHEMBL13715348 0.73 GPR84 (0.67) GPR84HTR1AMPOHTR2ATRPM8
SCHEMBL308460 0.72 NPSR1 (0.62) HTR1AHTR2AKMT2AHTR2BIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
EP-1912970-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL Bayer Schering Pharma Aktiengesellschaft (DE) 2008-04-23 EP disclosed
US-20070060573-A1 Acyltryptophanols BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 WO 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 GPR84 304/4885HTR1A 11/4885MPO 4034/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R GPR84 244/4885HTR1A 8/4885MPO 4399/4885

“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.