SCHEMBL4601569

SCHEMBL4601569

CCOC(=O)C(N)Cc1c[nH]c2cc(F)c(F)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.57
TACR1 P25103 2/20 0.51
GPR84 Q9NQS5 1/20 0.48
HTR2A P28223 5/20 0.45
HTR2C P28335 4/20 0.45
HTR2B P41595 4/20 0.45
BLM P54132 3/20 0.45
KMT2A Q03164 3/20 0.45
HTR1A P08908 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
NFKB1 P19838 2/20 0.45
PMP22 Q01453 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL17760581 1.00 SCN9A (0.57) SCN9ATACR1GPR84HTR2AHTR2C
Hydrochloric Acid SCHEMBL4634230 0.99 SCN9A (0.56) SCN9ATACR1GPR84HTR2AHTR2C
SCHEMBL3009633 0.86 GPR84 (0.47) SCN9ATACR1GPR84HTR2AHTR2C
SCHEMBL17760570 0.85 SCN9A (0.57) SCN9ATACR1HTR2AHTR2CHTR2B
SCHEMBL3015206 0.82 KMT2A (0.64) SCN9AGPR84HTR2AHTR2CHTR2B
SCHEMBL3015204 0.82 KMT2A (0.64) SCN9AGPR84HTR2AHTR2CHTR2B
SCHEMBL3013867 0.82 GPR84 (0.43) SCN9ATACR1GPR84HTR2AHTR2C
SCHEMBL816987 0.81 NPSR1 (0.70) SCN9ATACR1HTR2AHTR2CHTR2B
SCHEMBL10407437 0.81 NPSR1 (0.70) SCN9ATACR1HTR2AHTR2CHTR2B
SCHEMBL4601615 0.81 SCN9A (0.60) SCN9AGPR84HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
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
WO-2008071453-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO disclosed
EP-1932831-A1 1,2-Diarylacetylene Derivatives of Acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-06-18 EP 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 (3 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-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 SCN9A 2507/4885TACR1 179/4885GPR84 323/4885
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 SCN9A 3914/4885TACR1 101/4885GPR84 304/4885
US-20070060573-A1 Acyltryptophanols FSHR, NPY1R, NPY2R SCN9A 3913/4885TACR1 87/4885GPR84 244/4885

“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.