SCHEMBL16738735

SCHEMBL16738735

Nc1cc(Br)c(OCC2CCC2)cc1N

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.42
SCN9A Q15858 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CDK2 P24941 1/20 0.40
MAP4K4 O95819 1/20 0.39
THRA P10827 2/20 0.39
THRB P10828 2/20 0.39
HTR2C P28335 1/20 0.38
PARP15 Q460N3 2/20 0.37
PARP10 Q53GL7 2/20 0.37
PARP2 Q9UGN5 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 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
SCHEMBL23915570 0.93 CNR2 (0.39) MCHR1SCN9AAAK1CDK2THRA
SCHEMBL22235746 0.79 CDK2 (0.46) MCHR1SCN9ACDK2MAP4K4NOS3
SCHEMBL23966794 0.78 CNR2 (0.35) MCHR1SCN9AAAK1CDK2THRA
SCHEMBL23966507 0.76 KDM4E (0.39) MCHR1CDK2THRBHTR2CPARP15
SCHEMBL23966847 0.74 AAK1 (0.40) SCN9AAAK1HTR2C
SCHEMBL16650978 0.72 RIPK1 (0.41) MCHR1HTR2CPARP15PARP10PARP2
SCHEMBL21957402 0.71 SCD (0.42) SCN9ATHRATHRBHTR2C
SCHEMBL8785073 0.71 MCHR1 (0.55) MCHR1MAP4K4HTR2CPARP15PARP10
SCHEMBL31027311 0.71 SCD (0.42) SCN9ATHRATHRBHTR2C
SCHEMBL23914594 0.71 HTR2C (0.42) CDK2HTR2CPARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 US disclosed
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 US disclosed
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 US disclosed
WO-2015081189-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 WO disclosed
WO-2015081189-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-06-04 WO disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 US disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 US disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 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 (2 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-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MCHR1 4251/4885SCN9A 3173/4885AAK1 1805/4885
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 MCHR1 4251/4885SCN9A 3173/4885AAK1 1805/4885

“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.