SCHEMBL5443298

SCHEMBL5443298

C[C@H]1CNCCc2ccc(-c3cccnc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 14/20 0.52
HTR2C P28335 14/20 0.52
HTR2B P41595 13/20 0.52
ADRB1 P08588 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
CNR1 P21554 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
HRH1 P35367 1/20 0.52
KCNH2 Q12809 1/20 0.52
CYP11B1 P15538 5/20 0.50
CYP11B2 P19099 5/20 0.50
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 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
SCHEMBL5440354 1.00 HTR2A (0.52) HTR2AHTR2CHTR2BADRB1HTR1A
Hydrochloric Acid SCHEMBL5437716 0.99 HTR2A (0.51) HTR2AHTR2CHTR2BADRB1HTR1A
SCHEMBL14360815 0.83 HTR2C (0.66) HTR2AHTR2CHTR2BADRB1HTR1A
SCHEMBL5440725 0.83 HTR2C (0.66) HTR2AHTR2CHTR2BADRB1HTR1A
SCHEMBL5437363 0.83 HTR2C (0.66) HTR2AHTR2CHTR2BADRB1HTR1A
SCHEMBL1009580 0.83 CYP11B1 (0.51) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5438057 0.82 HTR2C (0.64) HTR2AHTR2CHTR2BADRB1HTR1A
Hydrochloric Acid SCHEMBL5445102 0.82 HTR2C (0.64) HTR2AHTR2CHTR2BADRB1HTR1A
SCHEMBL13198516 0.81 CYP11B1 (0.60) CYP11B1CYP11B2CYP1A2CYP3A4CYP2C9
SCHEMBL5440565 0.78 HTR2C (0.71) HTR2AHTR2CHTR2BADRB1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070275949-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2C Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20070275949-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2C Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 US disclosed
US-20070275949-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2C Receptor Associated Diseases ARENA PHARMACEUTICALS, INC. (US) 2007-11-29 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 (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-20070275949-A1 Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2C Receptor Associated Diseases HTR2C, HTR2A, HTR2B HTR2A 2/4885HTR2C 1/4885HTR2B 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.