SCHEMBL905945

SCHEMBL905945

C[CH]C(N)n1nc(CC)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
PDE2A O00408 3/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
MAT2A P31153 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
PTGER1 P34995 1/20 0.31
PTGER3 P43115 1/20 0.31
HTR2B P41595 1/20 0.31
PTGDR2 Q9Y5Y4 3/20 0.31
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
DPP7 Q9UHL4 2/20 0.31
CRHR1 P34998 1/20 0.30

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
SCHEMBL1981727 0.82 SLC6A4 (0.34) HTR2AHTR2CHTR2B
SCHEMBL906048 0.81 PDGFRA (0.35) HTR2AHTR2C
SCHEMBL5678114 0.76 DPP7 (0.34) PDE2AKDM4EALDH1A1PTGER1PTGER3
SCHEMBL905944 0.76 HTR2A (0.48) KIF11PDE2AHEXAHEXBHTR2A
SCHEMBL13106220 0.76 KIF11 (0.46) KIF11PDE2AHEXAHEXBMAT2A
Ammonia Solution, Strong SCHEMBL905946 0.71 KIF11 (0.42) KIF11KDM4EALDH1A1PTGER1RORA
Fumaric Acid SCHEMBL5678122 0.71 SLC22A12 (0.43) KDM4EHTR2AHTR2CPTGER1PTGDR2
Fumaric Acid SCHEMBL5678111 0.71 SLC22A12 (0.43) KDM4EHTR2AHTR2CPTGER1PTGDR2
SCHEMBL26997341 0.70 TMEM97 (0.34) KIF11PDE2AHTR2AHTR2CRORA
SCHEMBL7779340 0.66 SLC22A12 (0.36) PTGER1PTGDR2CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP claimed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 US claimed
EP-1129078-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RESEARCH LIMITED (GB) 2001-09-05 EP claimed
WO-2000012481-A2 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY________________ VERNALIS RESEARCH LIMITED (GB) 2000-03-09 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-1129078-B1 INDAZOLE DERIVATIVES WITH 5-HT2 RECEPTOR ACTIVITY VERNALIS RES LTD (GB) 2006-03-15 EP disclosed
US-20040235856-A1 Treatment of incontinence PFIZER INC 2004-11-25 US disclosed
US-6552062-B1 For therapy of central nervous system disorders; damage to the central nervous system; cardiovascular disorders; gastrointestinal disorders; diabetes insipidus, and sleep apnea, and obesity VERNALIS RESEARCH LIMITED (GB) 2003-04-22 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 KIF11 2947/4885PDE2A 96/4885HEXA 970/4885
US-20110152272-A1 Treatment Of Incontinence HTR2C, HTR5A, ADRA2C KIF11 2947/4885PDE2A 96/4885HEXA 970/4885
US-20080146583-A1 Treatment of Incontinence HTR2C, HTR5A, ADRA2C KIF11 2947/4885PDE2A 96/4885HEXA 970/4885

“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.