SCHEMBL4940545

SCHEMBL4940545

CC1CNCCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.67
HTR2A P28223 8/20 0.67
HTR2B P41595 8/20 0.54
HRH3 Q9Y5N1 3/20 0.49
MAOB P27338 2/20 0.46
MAOA P21397 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL4940018 1.00 HTR2C (0.67) HTR2CHTR2AHTR2BHRH3MAOB
Hydrochloric Acid SCHEMBL4937772 0.99 HTR2C (0.66) HTR2CHTR2AHTR2BHRH3MAOB
Hydrochloric Acid SCHEMBL4929497 0.99 HTR2C (0.66) HTR2CHTR2AHTR2BHRH3MAOB
Hydrochloric Acid SCHEMBL4937777 0.99 HTR2C (0.66) HTR2CHTR2AHTR2BHRH3MAOB
SCHEMBL5442260 0.91 HTR2C (0.65) HTR2CHTR2AHTR2BHRH3MAOB
SCHEMBL5442266 0.91 HTR2C (0.65) HTR2CHTR2AHTR2BHRH3MAOB
SCHEMBL5442264 0.91 HTR2C (0.65) HTR2CHTR2AHTR2BHRH3MAOB
SCHEMBL4933088 0.88 HTR2C (0.58) HTR2CHTR2AHTR2BMAOBMAOA
SCHEMBL4933084 0.88 HTR2C (0.58) HTR2CHTR2AHTR2BMAOBMAOA
SCHEMBL4933090 0.88 HTR2C (0.58) HTR2CHTR2AHTR2BMAOBMAOA

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 9 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 claimed
WO-2005042490-A1 BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES ARENA PHARMACEUTICALS, INC. (US) 2005-05-12 WO claimed
US-20210052600-A1 THERAPEUTIC AGENTS FOR STRESS URINARY INCONTINENCE AND INCOTINENCE OF FECES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-02-25 US disclosed
EP-3733204-A1 THERAPEUTIC AGENT FOR STRESS URINARY INCONTINENCE AND FECAL INCONTINENCE Takeda Pharmaceutical Company Limited (JP) 2020-11-04 EP 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-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
WO-2005042490-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 (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-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
US-20070275949-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.