SCHEMBL6253753

SCHEMBL6253753

OC(c1ccccc1)c1cccc(CN[C@H]2CCCc3ccccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 6/20 0.52
PRMT5 O14744 1/20 0.50
KMT2A Q03164 2/20 0.46
HTT P42858 3/20 0.45
LMNA P02545 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
EPHX2 P34913 2/20 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
SCHEMBL6252685 0.82 KDM4E (0.65) KDM4EALDH1A1PRMT5KMT2AHTT
SCHEMBL2704412 0.82 KDM4E (0.65) KDM4EALDH1A1PRMT5KMT2AHTT
SCHEMBL7050273 0.82 KDM4E (0.58) KDM4EALDH1A1PRMT5KMT2AEPHX2
SCHEMBL6255800 0.82 KDM4E (0.58) KDM4EALDH1A1PRMT5KMT2AHTT
SCHEMBL6254818 0.82 KDM4E (0.58) KDM4EALDH1A1PRMT5KMT2ALMNA
SCHEMBL6252456 0.79 KDM4E (0.56) KDM4EALDH1A1PRMT5KMT2ALMNA
SCHEMBL6254240 0.79 TAS1R3 (0.56) KDM4EALDH1A1PRMT5KMT2A
SCHEMBL6250577 0.79 KDM4E (0.62) KDM4EALDH1A1PRMT5HTTLMNA
SCHEMBL6255987 0.79 KDM4E (0.55) KDM4EALDH1A1PRMT5KMT2AHTT
SCHEMBL9080523 0.79 KDM4E (0.58) KDM4EALDH1A1PRMT5KMT2A

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 6 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
EP-1392643-A2 TRISUBSTITUTED-N- (1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS Abbott Laboratories (US) 2004-03-03 EP 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
WO-2002094767-A2 TRISUBSTITUTED-N-[(1S)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENYL] BENZAMIDES WHICH INHIBIT P2X3 AND P2X2/3 CONTAINING RECEPTORS ABBOTT LABORATORIES (US) 2002-11-28 WO 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 3624/4885ALDH1A1 404/4885PRMT5 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 3321/4885ALDH1A1 392/4885PRMT5 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.