SCHEMBL496015

SCHEMBL496015

N#Cc1ccc(CN2CCOCC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.50
CHKA P35790 1/20 0.49
NCF1 P14598 1/20 0.47
HTT P42858 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KCNJ1 P48048 2/20 0.46
KCNH2 Q12809 1/20 0.46
CYP2A13 Q16696 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
LRRK2 Q5S007 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43

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
SCHEMBL22322038 0.86 ALDH1A1 (0.63) HRH3CHKANCF1HTTALDH1A1
SCHEMBL3439431 0.85 HRH3 (0.50) HRH3NCF1HTTALDH1A1KCNJ1
SCHEMBL18648216 0.79 HRH3 (0.50) HRH3CHKANCF1HTTALDH1A1
SCHEMBL20468154 0.79 HRH3 (0.50) HRH3CHKANCF1HTTCYP2A13
SCHEMBL20247420 0.79 HTT (0.55) HRH3CHKANCF1HTTALDH1A1
SCHEMBL4698558 0.79 HTT (0.65) HRH3HTTALDH1A1SMN1; SMN2NPC1
SCHEMBL7189205 0.78 KCNH2 (0.44) KCNJ1KCNH2CDK1KDRKDM4E
SCHEMBL18648036 0.78 HTT (0.42) HRH3CHKAHTTALDH1A1SMN1; SMN2
SCHEMBL23235186 0.77 HRH3 (0.54) HRH3NCF1HTTALDH1A1CYP2A13
SCHEMBL538318 0.77 HTT (0.58) HRH3NCF1HTTALDH1A1KCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP 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 (1 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-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 HRH3 188/4885CHKA 3869/4885NCF1 1588/4885

“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.