SCHEMBL6255683

SCHEMBL6255683

O=C(O)c1cc(C(=O)O)c(C(=O)N(Cc2ccc(-c3ccc(F)cc3)cc2)[C@H]2CCCc3ccccc32)cc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.66
P2RX2 Q9UBL9 2/20 0.66
AGER Q15109 2/20 0.42
MTNR1A P48039 1/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
ALDH1A1 P00352 3/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
HCRTR1 O43613 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
KDM4C Q9H3R0 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM5A P29375 1/20 0.37
KDM5B Q9UGL1 1/20 0.37

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
SCHEMBL6253502 0.94 P2RX3 (0.71) P2RX3P2RX2TAS2R14ALDH1A1XBP1
SCHEMBL6253094 0.93 P2RX3 (0.70) P2RX3P2RX2AGERMTNR1ATAS2R14
SCHEMBL6252698 0.90 P2RX3 (0.66) P2RX3P2RX2AGERTAS2R14ALDH1A1
SCHEMBL6254965 0.90 P2RX3 (0.79) P2RX3P2RX2TAS2R14ALDH1A1XBP1
SCHEMBL6254843 0.90 P2RX3 (0.63) P2RX3P2RX2TAS2R14ALDH1A1XBP1
SCHEMBL6254845 0.90 P2RX3 (0.63) P2RX3P2RX2TAS2R14ALDH1A1XBP1
SCHEMBL6253093 0.89 P2RX3 (0.69) P2RX3P2RX2AGERMTNR1ATAS2R14
SCHEMBL6254809 0.89 P2RX3 (0.64) P2RX3P2RX2AGERTAS2R14ALDH1A1
SCHEMBL6255799 0.88 P2RX3 (0.68) P2RX3P2RX2TAS2R14ALDH1A1XBP1
SCHEMBL6256542 0.88 P2RX3 (0.58) P2RX3P2RX2ALDH1A1XBP1HTT

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
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
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 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 3/4885AGER 1752/4885
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 3/4885AGER 1331/4885

“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.