SCHEMBL905902

SCHEMBL905902

CC(N)Cn1ccc2ccc3ccncc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 1.00
HTR2A P28223 18/20 1.00
HTR2B P41595 6/20 1.00
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
Fumaric Acid SCHEMBL6605773 0.89 HTR2C (0.80) HTR2CHTR2AHTR2B
Fumaric Acid SCHEMBL6607435 0.89 HTR2C (0.80) HTR2CHTR2AHTR2B
SCHEMBL905799 0.89 HTR2C (1.00) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Ammonia Solution, Strong SCHEMBL905906 0.79 HTR2A (0.66) HTR2CHTR2AHTR2B
Fumaric Acid SCHEMBL6604972 0.79 HTR2C (0.80) HTR2CHTR2AHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL6604968 0.79 HTR2C (0.80) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL25296051 0.76 HTR2C (0.65) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL24110209 0.76 HTR2C (0.65) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL6604236 0.75 HTR2A (0.60) HTR2CHTR2AHTR2BCYP1A2CYP3A4
SCHEMBL6603614 0.75 HTR2C (1.00) HTR2CHTR2AHTR2BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109809-B1 PYRROLOQUINOLINES FOR TREATMENT OF OBESITY CEREBRUS PHARM LTD (GB) 2004-11-17 EP claimed
US-6365598-B1 FOR THERAPY AND PROPHYLAXIS OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS; AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-02 US claimed
US-20110152272-A1 Treatment Of Incontinence PFIZER INC 2011-06-23 US disclosed
EP-2277513-A2 Treatment of incontinence with 5htc2 agonists Pfizer Inc. (US) 2011-01-26 EP disclosed
CN-1780612-B Treatment of incontinence with 5HT2C agonists. PFIZER 2010-12-01 CN disclosed
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
CN-1780612-A Treatment of incontinence with 5HT2C agonists. PFIZER (US) 2006-05-31 CN disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
EP-1109809-B1 PYRROLOQUINOLINES FOR TREATMENT OF OBESITY CEREBRUS PHARM LTD (GB) 2004-11-17 EP disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
US-6365598-B1 FOR THERAPY AND PROPHYLAXIS OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS; AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-02 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-20040235856-A1 Treatment of incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2C 1/4885HTR2A 6/4885HTR2B 10/4885

“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.