SCHEMBL906003

SCHEMBL906003

Fc1ccc(F)c(CNc2cncc(N3CCNCC3)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.48
HTR2C P28335 6/20 0.45
HTR2A P28223 5/20 0.45
HTR2B P41595 4/20 0.45
HTR1A P08908 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR6 P50406 1/20 0.42
PIM1 P11309 3/20 0.40
PIM3 Q86V86 3/20 0.40
PIM2 Q9P1W9 3/20 0.40
CHRM4 P08173 1/20 0.39

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
Hydrochloric Acid SCHEMBL6278793 0.99 DPP4 (0.47) DPP4HTR2CHTR2AHTR2BHTR1A
SCHEMBL905869 0.82 CDK9 (0.50) DPP4HTR2CHTR2AHTR2BHTR1A
SCHEMBL906061 0.82 ACHE (0.43) DPP4HTR2CHTR2AHTR2BHTR1A
SCHEMBL906001 0.81 CDK9 (0.46) DPP4HTR2CHTR2AHTR2BHTR1A
Hydrochloric Acid SCHEMBL6285450 0.81 CDK9 (0.49) DPP4HTR2CHTR2AHTR2BHTR1A
SCHEMBL906145 0.77 HTR2C (0.60) HTR2CHTR2AHTR2BHTR1AKDM4E
SCHEMBL906151 0.77 HTR2C (0.59) DPP4HTR2CHTR2AHTR2BHTR1A
SCHEMBL905963 0.76 HTR2A (0.52) HTR2CHTR2AHTR2BHTR1AKDM4E
Hydrochloric Acid SCHEMBL6285766 0.76 HTR2C (0.58) DPP4HTR2CHTR2AHTR2BHTR1A
SCHEMBL3267745 0.76 ACHE (0.58) HTR2CHTR2AHTR2BHTR1AKDM4E

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 15 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
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 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
US-20080146583-A1 Treatment of Incontinence PFIZER INC 2008-06-19 US disclosed
US-7081472-B2 Substituted bis-indole derivatives useful as contrast agents, pharmaceutical compositions containing them and intermediates for producing them K. U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2006-07-25 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 DPP4 2401/4885HTR2C 1/4885HTR2A 6/4885
US-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A DPP4 3497/4885HTR2C 4/4885HTR2A 1/4885
US-20050020604-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A DPP4 3497/4885HTR2C 4/4885HTR2A 1/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C DPP4 2401/4885HTR2C 1/4885HTR2A 6/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C DPP4 2401/4885HTR2C 1/4885HTR2A 6/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A DPP4 3210/4885HTR2C 4/4885HTR2A 2/4885

“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.