SCHEMBL16599485

SCHEMBL16599485

O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(Cc2ccc(C(F)(F)F)c(F)c2)CC1

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 7/20 0.82
KMT2A Q03164 4/20 0.65
MEN1 O00255 2/20 0.65
HRH4 Q9H3N8 5/20 0.56
HRH3 Q9Y5N1 2/20 0.56
HRH1 P35367 1/20 0.56
KDM4E B2RXH2 1/20 0.54
MAPT P10636 1/20 0.54
POLB P06746 1/20 0.53
DRD3 P35462 2/20 0.52
HDAC6 Q9UBN7 1/20 0.50
DRD2 P14416 1/20 0.49

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
SCHEMBL16598882 0.93 GPR183 (0.71) GPR183KMT2AMEN1HRH4HRH3
SCHEMBL17954415 0.93 GPR183 (0.71) GPR183KMT2AMEN1HRH4HRH3
SCHEMBL16599065 0.90 GPR183 (0.68) GPR183KMT2AMEN1HRH4KDM4E
SCHEMBL17856076 0.90 GPR183 (1.00) GPR183KMT2AMEN1HRH4HRH3
SCHEMBL17938686 0.88 GPR183 (0.80) GPR183KMT2AMEN1HRH4HRH3
SCHEMBL17954139 0.88 GPR183 (0.64) GPR183KMT2AMEN1HRH4HRH3
SCHEMBL16598766 0.87 KMT2A (0.73) GPR183KMT2AMEN1HRH4HRH3
SCHEMBL16598709 0.85 KMT2A (0.62) GPR183KMT2AMEN1HRH4HRH3
SCHEMBL16598576 0.85 GPR183 (0.70) GPR183KMT2AMEN1HRH4HRH3
SCHEMBL16598763 0.85 GPR183 (0.61) GPR183KMT2AMEN1HRH4HRH3

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 5 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-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
US-20160214951-A1 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2016-07-28 US disclosed
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 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-20160214951-A1 EBI2 MODULATORS BIRC2, HAVCR2, MAVS GPR183 22/4885KMT2A 1057/4885MEN1 2201/4885

“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.