SCHEMBL4937031

SCHEMBL4937031

C[C@@H]1CNCCc2ccc(Cc3ccccc3)cc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 17/20 0.60
HTR2A P28223 16/20 0.60
HTR2B P41595 14/20 0.60
HTR1A P08908 2/20 0.56
ADRB1 P08588 1/20 0.56
ADRA2A P08913 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
CNR1 P21554 1/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
HRH1 P35367 1/20 0.56
KCNH2 Q12809 1/20 0.56
HTR6 P50406 1/20 0.45
PARP11 Q9NR21 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44

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
SCHEMBL14282058 1.00 HTR2C (0.60) HTR2CHTR2AHTR2BHTR1AADRB1
SCHEMBL4929637 1.00 HTR2C (0.60) HTR2CHTR2AHTR2BHTR1AADRB1
Hydrochloric Acid SCHEMBL4937486 0.99 HTR2C (0.59) HTR2CHTR2AHTR2BHTR1AADRB1
Trifluoroacetic Acid SCHEMBL4936418 0.89 HTR2A (0.52) HTR2CHTR2AHTR2BHTR1AADRB1
SCHEMBL14282059 0.89 HTR2C (0.60) HTR2CHTR2AHTR2BHTR1AADRB1
SCHEMBL4937618 0.89 HTR2C (0.60) HTR2CHTR2AHTR2BHTR1AADRB1
SCHEMBL14282062 0.87 HTR2C (0.71) HTR2CHTR2AHTR2BHTR1AADRB1
SCHEMBL4929664 0.87 HTR2C (0.71) HTR2CHTR2AHTR2BHTR1AADRB1
Hydrochloric Acid SCHEMBL4936521 0.87 HTR2C (0.59) HTR2CHTR2AHTR2BHTR1AADRB1
SCHEMBL4935815 0.87 HTR2C (0.66) HTR2CHTR2AHTR2BHTR1AADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
WO-2005042491-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 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-20080009478-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases HTR2C, HTR2A, HTR2B HTR2C 1/4885HTR2A 2/4885HTR2B 3/4885

“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.