SCHEMBL6254845

SCHEMBL6254845

O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C2CCCc3ccccc32)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.63
P2RX2 Q9UBL9 2/20 0.63
TAS2R14 Q9NYV8 1/20 0.40
DHODH Q02127 1/20 0.40
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
HTT P42858 1/20 0.39
ACLY P53396 1/20 0.38
OPRD1 P41143 1/20 0.38
GCGR P47871 1/20 0.37
GIPR P48546 1/20 0.37
RAB9A P51151 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
LTB4R Q15722 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36

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
SCHEMBL6254843 1.00 P2RX3 (0.63) P2RX3P2RX2TAS2R14DHODHALDH1A1
SCHEMBL6251277 0.93 P2RX3 (0.67) P2RX3P2RX2DHODHALDH1A1XBP1
SCHEMBL6251274 0.93 P2RX3 (0.67) P2RX3P2RX2DHODHALDH1A1XBP1
SCHEMBL6253502 0.91 P2RX3 (0.71) P2RX3P2RX2TAS2R14ALDH1A1XBP1
SCHEMBL6255683 0.90 P2RX3 (0.66) P2RX3P2RX2TAS2R14ALDH1A1XBP1
SCHEMBL6254178 0.90 P2RX3 (0.66) P2RX3P2RX2TAS2R14DHODHALDH1A1
SCHEMBL6255961 0.88 P2RX3 (0.56) P2RX3P2RX2DHODHALDH1A1XBP1
SCHEMBL6255858 0.88 P2RX3 (0.60) P2RX3P2RX2TAS2R14ALDH1A1XBP1
SCHEMBL6255965 0.88 P2RX3 (0.56) P2RX3P2RX2DHODHALDH1A1XBP1
SCHEMBL6255864 0.88 P2RX3 (0.60) P2RX3P2RX2TAS2R14ALDH1A1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392643-B1 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LAB (US) 2005-09-14 EP claimed
US-6831193-B2 Treating pain, urinary incontinence and bladder overactivity; P2X receptors are cation-permeable ion channels ABBOTT LABORATORIES 2004-12-14 US claimed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 US claimed
US-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors ABBOTT LABORATORIES 2002-11-21 US claimed
EP-1392643-B1 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LAB (US) 2005-09-14 EP disclosed
US-6831193-B2 Treating pain, urinary incontinence and bladder overactivity; P2X receptors are cation-permeable ion channels ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors ABBVIE INC. 2003-05-01 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 (2 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-20020173665-A1 Trisubstituted-N-[(1S)-1,2,3,4-tetrahydro-1-naphthalenyl] benzamides which inhibit P2X3 and P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 P2RX3 1/4885P2RX2 3/4885TAS2R14 860/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 P2RX3 1/4885P2RX2 3/4885TAS2R14 519/4885

“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.