SCHEMBL3286362

SCHEMBL3286362

C[C@H]1CN(C)CCc2c(Cl)cc(Cl)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.53
HTR2A P28223 1/20 0.53
HTR2B P41595 1/20 0.53
CYP2D6 P10635 4/20 0.40
TSHR P16473 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 2/20 0.40
NFKB1 P19838 2/20 0.40
THPO P40225 2/20 0.40
HIF1A Q16665 1/20 0.40
DRD1 P21728 6/20 0.39
DRD2 P14416 4/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PMP22 Q01453 1/20 0.39
SLC9A3 P48764 1/20 0.38
DRD5 P21918 2/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL3283614 1.00 HTR2C (0.53) HTR2CHTR2AHTR2BCYP2D6TSHR
SCHEMBL3283933 1.00 HTR2C (0.53) HTR2CHTR2AHTR2BCYP2D6TSHR
SCHEMBL18902564 0.83 SLC9A3 (0.51) HTR2CHTR2AHTR2BSLC9A3
SCHEMBL19140612 0.83 SLC9A3 (0.51) HTR2CHTR2AHTR2BSLC9A3
SCHEMBL3285493 0.77 CYP2D6 (0.56) HTR2CCYP2D6TSHRHSD17B10ALOX15
SCHEMBL3285034 0.77 CYP2D6 (0.56) HTR2CCYP2D6TSHRHSD17B10ALOX15
SCHEMBL3290899 0.77 CYP2D6 (0.56) HTR2CCYP2D6TSHRHSD17B10ALOX15
SCHEMBL13198401 0.75 HTR2C (0.62) HTR2CHTR2AHTR2BADRA2AADRA2B
SCHEMBL1095493 0.74 DRD3 (0.54) HTR2CHTR2AHTR2BDRD1DRD2
SCHEMBL1095494 0.74 DRD3 (0.54) HTR2CHTR2AHTR2BDRD1DRD2

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-20130172322-A1 BENZAZEPINE DERIVATIVES USEFUL FOR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. 2013-07-04 US disclosed
US-8404675-B2 Benzazepine derivatives and methods of prophylaxis or treatment of 5HT2C receptor associated diseases ARENA PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-20100173894-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. 2010-07-08 US disclosed
US-7704993-B2 Benzazepine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. (US) 2010-04-27 US disclosed
US-20070142357-A1 Benzazepine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases ARENA PHARMACEUTICALS, INC. 2007-06-21 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 (3 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-20100173894-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES HTR2C, TPH2, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 4/4885
US-20130172322-A1 BENZAZEPINE DERIVATIVES USEFUL FOR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES HTR2C, HTR2A, TPH2 HTR2C 1/4885HTR2A 2/4885HTR2B 4/4885
US-20070142357-A1 Benzazepine derivatives and methods of prophylaxis or treatment of 5ht2c receptor associated diseases HTR2C, TPH2, HTR2A HTR2C 1/4885HTR2A 3/4885HTR2B 4/4885

“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.