SCHEMBL17954177

SCHEMBL17954177

CC(F)(F)c1ccc(C(=O)N2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 11/20 0.75
GPR183 P32249 5/20 0.53
HRH3 Q9Y5N1 3/20 0.50
HRH1 P35367 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL17938681 0.93 HRH4 (0.78) HRH4GPR183HRH3HRH1NPC1
SCHEMBL17954180 0.91 HRH4 (0.72) HRH4GPR183HRH3HRH1NPC1
SCHEMBL17954179 0.91 HRH4 (0.75) HRH4GPR183HRH3NPC1RAB9A
SCHEMBL17954175 0.89 HRH4 (0.69) HRH4HRH3HRH1MEN1KMT2A
SCHEMBL17955276 0.89 HRH4 (0.71) HRH4GPR183HRH3HRH1CA12
SCHEMBL16598859 0.89 HRH4 (0.71) HRH4GPR183HRH3HRH1MEN1
SCHEMBL17954181 0.87 HRH4 (0.67) HRH4GPR183HRH3HRH1NPC1
SCHEMBL16599043 0.87 HRH4 (0.76) HRH4GPR183HRH3HRH1NPC1
SCHEMBL16598571 0.87 HRH4 (0.69) HRH4GPR183CA12CA1CA2
SCHEMBL6141969 0.86 HRH4 (1.00) HRH4HRH3HRH1

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-9776979-B2 EBI2 modulators SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2017-10-03 US disclosed
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 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 (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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS HRH4 3590/4885GPR183 22/4885HRH3 2912/4885

“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.