SCHEMBL906124

SCHEMBL906124

CC(N)Cn1ccc2cc(Cl)c3ncccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 1.00
HTR2C P28335 18/20 1.00
HTR2B P41595 10/20 1.00
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CCR1 P32246 1/20 0.40
CCR8 P51685 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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 SCHEMBL6603599 0.91 HTR2A (0.82) HTR2AHTR2CHTR2BCYP1A2CYP3A4
Fumaric Acid SCHEMBL6603600 0.91 HTR2A (0.82) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL6602349 0.88 HTR2A (0.78) HTR2AHTR2CHTR2BCYP3A4CCR1
SCHEMBL6602352 0.88 HTR2A (0.78) HTR2AHTR2CHTR2BCYP3A4CCR1
Ammonia Solution, Strong SCHEMBL906126 0.82 HTR2A (0.70) HTR2AHTR2CHTR2BCCR1CCR8
SCHEMBL6603614 0.77 HTR2C (1.00) HTR2AHTR2CHTR2BCYP3A4
SCHEMBL6605040 0.77 HTR2C (1.00) HTR2AHTR2CHTR2BCYP3A4
SCHEMBL6604307 0.77 HTR2C (1.00) HTR2AHTR2CHTR2BCYP3A4
SCHEMBL6604727 0.77 HTR2C (1.00) HTR2AHTR2CHTR2BCYP3A4CCR1
Hydrochloric Acid SCHEMBL6607981 0.76 HTR2C (0.97) HTR2AHTR2CHTR2BCYP3A4

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 11 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
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 (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-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR2B 10/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR2B 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.