SCHEMBL17954152

SCHEMBL17954152

Cc1ccc(CN2CCN(C(=O)c3cc4cc(C(F)(F)F)ccc4[nH]3)CC2)cc1C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.63
GPR183 P32249 5/20 0.58
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
HDAC6 Q9UBN7 1/20 0.49
AKR1C3 P42330 1/20 0.49
PHGDH O43175 1/20 0.47
HRH1 P35367 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
RXFP1 Q9HBX9 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
SCHEMBL17954139 0.91 GPR183 (0.64) HRH4GPR183KMT2AMEN1KDM4E
SCHEMBL16598763 0.90 GPR183 (0.61) HRH4GPR183KMT2AMEN1KDM4E
SCHEMBL17954153 0.88 HRH4 (0.68) HRH4GPR183KMT2AMEN1KDM4E
SCHEMBL16599065 0.88 GPR183 (0.68) HRH4GPR183KMT2AMEN1KDM4E
SCHEMBL16598965 0.85 HRH4 (0.66) HRH4GPR183KMT2AMEN1KDM4E
SCHEMBL17954155 0.85 HRH4 (0.61) HRH4GPR183KMT2AMEN1KDM4E
SCHEMBL17938686 0.83 GPR183 (0.80) HRH4GPR183KMT2AMEN1KDM4E
SCHEMBL17938627 0.83 HRH4 (0.66) HRH4GPR183KMT2AMEN1KDM4E
SCHEMBL17954150 0.83 HRH4 (0.63) HRH4GPR183KMT2AMEN1KDM4E
SCHEMBL17954151 0.83 HRH4 (0.63) HRH4GPR183KMT2AMEN1KDM4E

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 22/4885KMT2A 1057/4885

“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.