SCHEMBL905963

SCHEMBL905963

Clc1cc(Cl)cc(CNc2cncc(N3CCNCC3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.52
HTR2C P28335 4/20 0.52
HTR1A P08908 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HTR2B P41595 3/20 0.50
HTR3A P46098 3/20 0.49
CHRM4 P08173 2/20 0.49
ADRB1 P08588 2/20 0.49
CHRM1 P11229 2/20 0.49
CHRM3 P20309 2/20 0.49
CHRM5 P08912 1/20 0.49

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
SCHEMBL906005 0.88 HTR2C (0.63) HTR2AHTR2CHTR1AALDH1A1KDM4E
SCHEMBL906001 0.85 CDK9 (0.46) HTR2AHTR2CHTR1AALDH1A1KDM4E
SCHEMBL3267745 0.82 ACHE (0.58) HTR2AHTR2CHTR1AALDH1A1KDM4E
Fumaric Acid SCHEMBL6278773 0.80 HTR2C (0.54) HTR2AHTR2CHTR1AALDH1A1KDM4E
Fumaric Acid SCHEMBL6278775 0.80 HTR2C (0.54) HTR2AHTR2CHTR1AALDH1A1KDM4E
SCHEMBL905869 0.79 CDK9 (0.50) HTR2AHTR2CHTR1AHTR2BHTR3A
SCHEMBL906151 0.78 HTR2C (0.59) HTR2AHTR2CHTR1AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL6285450 0.78 CDK9 (0.49) HTR2AHTR2CHTR1AHTR2BHTR3A
Hydrochloric Acid SCHEMBL6285766 0.77 HTR2C (0.58) HTR2AHTR2CHTR1AALDH1A1KDM4E
SCHEMBL1981974 0.77 CTSB (0.48) HTR2AHTR2CHTR1AALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US claimed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP claimed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US claimed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO 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
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
EP-1620081-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS Pfizer Limited (GB) 2006-02-01 EP disclosed
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050020604-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-01-27 US disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 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 (6 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 HTR2A 6/4885HTR2C 1/4885HTR1A 15/4885
US-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR2A 1/4885HTR2C 4/4885HTR1A 2/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A HTR2A 1/4885HTR2C 4/4885HTR1A 2/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR1A 15/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C HTR2A 6/4885HTR2C 1/4885HTR1A 15/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A HTR2A 2/4885HTR2C 4/4885HTR1A 1/4885

“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.