SCHEMBL3283579

SCHEMBL3283579

C[C@@H]1CNCCc2c(Cl)cccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 19/20 1.00
HTR2A P28223 17/20 0.62
HTR2B P41595 16/20 0.62
ADRB1 P08588 1/20 0.51
HTR1A P08908 1/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CNR1 P21554 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
HRH1 P35367 1/20 0.51
KCNH2 Q12809 1/20 0.51
PNMT P11086 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
SCHEMBL3283064 1.00 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL3283555 1.00 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
Hydrochloric Acid SCHEMBL3246468 0.98 HTR2C (0.97) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL3283040 0.77 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL3282305 0.77 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL3282302 0.77 HTR2C (1.00) HTR2CHTR2AHTR2BADRB1HTR1A
SCHEMBL16835251 0.76 HTR2C (0.61) HTR2CADRA2C
SCHEMBL1010578 0.76 HTR2C (0.61) HTR2CHTR2AHTR2BPNMT
Bromide SCHEMBL16241877 0.75 HTR2C (0.60) HTR2CADRA2C
SCHEMBL6484273 0.74 HTR2C (0.58) HTR2CHTR2AHTR2BADRB1HTR1A

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.