SCHEMBL6252285

SCHEMBL6252285

c1ccc(Oc2cccc(CN[C@H]3CCCc4ccccc43)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.58
KMT2A Q03164 2/20 0.53
PRMT5 O14744 1/20 0.52
ALDH1A1 P00352 4/20 0.51
P2RX3 P56373 2/20 0.50
P2RX2 Q9UBL9 2/20 0.50
TAOK1 Q7L7X3 1/20 0.49
TAOK3 Q9H2K8 1/20 0.49
MEN1 O00255 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL9080523 1.00 KDM4E (0.58) KDM4EKMT2APRMT5ALDH1A1P2RX3
SCHEMBL6252831 0.92 KDM4E (0.51) KDM4EKMT2APRMT5ALDH1A1P2RX3
SCHEMBL6251546 0.92 KDM4E (0.51) KDM4EKMT2APRMT5ALDH1A1P2RX3
SCHEMBL6258132 0.92 KMT2A (0.62) KDM4EKMT2APRMT5ALDH1A1TAOK1
SCHEMBL6256318 0.92 KMT2A (0.53) KDM4EKMT2APRMT5ALDH1A1P2RX3
SCHEMBL6256482 0.92 KDM4E (0.51) KDM4EKMT2APRMT5ALDH1A1P2RX3
SCHEMBL7048903 0.91 KDM4E (0.52) KDM4EKMT2APRMT5ALDH1A1P2RX3
SCHEMBL6255272 0.90 KDM4E (0.51) KDM4EKMT2APRMT5ALDH1A1P2RX3
SCHEMBL6258117 0.89 KDM4E (0.51) KDM4EKMT2APRMT5ALDH1A1P2RX3
SCHEMBL6253237 0.89 KDM4E (0.51) KDM4EKMT2APRMT5ALDH1A1P2RX3

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-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 KDM4E 3624/4885KMT2A 3665/4885PRMT5 2776/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 KDM4E 3321/4885KMT2A 3291/4885PRMT5 2867/4885

“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.