SCHEMBL4736751

SCHEMBL4736751

CCOC(=O)C(N)Cc1c[nH]c2c(F)cc(F)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.50
GPR84 Q9NQS5 1/20 0.50
TACR1 P25103 2/20 0.44
TNF P01375 2/20 0.44
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR2A P28223 3/20 0.39
HTR2C P28335 2/20 0.38
MPO P05164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
BLM P54132 2/20 0.36
PMP22 Q01453 2/20 0.36
KMT2A Q03164 2/20 0.36
HTR1A P08908 2/20 0.36
SLC6A4 P31645 2/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 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
SCHEMBL4641967 0.95 TNF (0.51) SCN9AGPR84TACR1TNFLMNA
SCHEMBL29751089 0.83 TNF (0.61) SCN9AGPR84TNFLMNAALDH1A1
SCHEMBL4640376 0.83 TNF (0.61) SCN9AGPR84TNFLMNAALDH1A1
SCHEMBL6844425 0.83 TNF (0.61) SCN9AGPR84TNFLMNAALDH1A1
Hydrochloric Acid SCHEMBL29750798 0.82 TNF (0.60) SCN9AGPR84TNFLMNAALDH1A1
SCHEMBL4601569 0.80 SCN9A (0.57) SCN9AGPR84TACR1LMNAALDH1A1
SCHEMBL17760581 0.80 SCN9A (0.57) SCN9AGPR84TACR1LMNAALDH1A1
Hydrochloric Acid SCHEMBL4634230 0.79 SCN9A (0.56) SCN9AGPR84TACR1LMNAALDH1A1
SCHEMBL23059043 0.78 HTR2A (0.62) GPR84TNFLMNAALDH1A1HTR2A
SCHEMBL14527142 0.77 GPR84 (0.63) GPR84HTR2AHTR2CHTR1ASLC6A4

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 2 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
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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 (1 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 SCN9A 3914/4885GPR84 304/4885TACR1 101/4885

“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.