SCHEMBL6253276

SCHEMBL6253276

Brc1ccc(CN[C@H]2CCCc3ccccc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
PRMT5 O14744 1/20 0.55
HRH3 Q9Y5N1 1/20 0.49
TAOK1 Q7L7X3 1/20 0.48
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL2704412 0.88 KDM4E (0.65) KDM4EALDH1A1KMT2APRMT5
SCHEMBL6252685 0.88 KDM4E (0.65) KDM4EALDH1A1KMT2APRMT5
SCHEMBL6253512 0.87 KDM4E (0.55) KDM4EALDH1A1KMT2ALMNAPRMT5
SCHEMBL6252449 0.86 KDM4E (0.60) KDM4EALDH1A1KMT2ALMNAPRMT5
SCHEMBL7048944 0.86 KDM4E (0.63) KDM4EALDH1A1KMT2APRMT5HRH3
SCHEMBL6252456 0.85 KDM4E (0.56) KDM4EALDH1A1KMT2ALMNAPRMT5
SCHEMBL18104312 0.83 KDM4E (0.57) KDM4EALDH1A1KMT2ALMNAPRMT5
SCHEMBL6254168 0.82 KDM4E (0.57) KDM4EALDH1A1KMT2APRMT5HRH3
SCHEMBL6252359 0.82 KDM4E (0.57) KDM4EALDH1A1KMT2ALMNAPRMT5
SCHEMBL9080633 0.82 KDM4E (0.68) KDM4EALDH1A1KMT2APRMT5HRH3

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 3624/4885ALDH1A1 404/4885KMT2A 3665/4885
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 392/4885KMT2A 3291/4885

“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.