SCHEMBL905807

SCHEMBL905807

C[CH]C(N)N1CCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
NOTUM Q6P988 1/20 0.41
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
HTR2A P28223 6/20 0.37
HTR2C P28335 6/20 0.37
HTR2B P41595 5/20 0.35
DPP7 Q9UHL4 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SCD O00767 1/20 0.34
PHGDH O43175 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL15893966 0.81 CNR2 (0.47) CNR2NOTUMXIAPBIRC2HTR2A
SCHEMBL905863 0.80 ALDH1A1 (0.41) NOTUMXIAPBIRC2HTR2AHTR2C
SCHEMBL905976 0.78 HTR2A (0.54) NOTUMXIAPBIRC2HTR2AHTR2C
SCHEMBL12382092 0.78 CRHR1 (0.46) CNR2NOTUMXIAPBIRC2HTR2A
SCHEMBL905756 0.78 HTR2A (0.54) XIAPBIRC2HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL7842027 0.77 HTR2A (0.52) NOTUMXIAPBIRC2HTR2AHTR2C
Hydrochloric Acid SCHEMBL7672906 0.77 HTR2A (0.52) NOTUMXIAPBIRC2HTR2AHTR2C
SCHEMBL906139 0.77 HTR2A (0.57) HTR2AHTR2CHTR2B
SCHEMBL10311214 0.76 CNR2 (0.43) CNR2NOTUMXIAPBIRC2HTR2A
SCHEMBL905760 0.76 HTR2A (0.56) HTR2AHTR2CHTR2BLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380238-B1 FOR THERAPY 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) 2002-04-30 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
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
WO-2004096196-A2 TREATMENT OF INCONTINENCE WITH 5HTC2 AGONISTS PFIZER LIMITED (GB) 2004-11-11 WO disclosed
US-6380238-B1 FOR THERAPY 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) 2002-04-30 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 CNR2 56/4885NOTUM 2356/4885XIAP 2586/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C CNR2 56/4885NOTUM 2356/4885XIAP 2586/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C CNR2 56/4885NOTUM 2356/4885XIAP 2586/4885

“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.