SCHEMBL6257973

SCHEMBL6257973

COc1cc(CN[C@H]2CCCc3ccccc32)cc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
KDM4E B2RXH2 4/20 0.64
ALDH1A1 P00352 4/20 0.56
PRMT5 O14744 1/20 0.54
TSHR P16473 1/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 1/20 0.50
TAOK1 Q7L7X3 1/20 0.50
TAOK3 Q9H2K8 1/20 0.50

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
SCHEMBL6252377 0.90 KMT2A (0.68) KMT2AKDM4EALDH1A1PRMT5MEN1
SCHEMBL6253003 0.85 KMT2A (0.65) KMT2AKDM4EALDH1A1PRMT5MEN1
SCHEMBL6258132 0.85 KMT2A (0.62) KMT2AKDM4EALDH1A1PRMT5MEN1
SCHEMBL6253383 0.83 KDM4E (0.58) KMT2AKDM4EALDH1A1PRMT5MAPT
SCHEMBL6252685 0.81 KDM4E (0.65) KMT2AKDM4EALDH1A1PRMT5MEN1
SCHEMBL2704412 0.81 KDM4E (0.65) KMT2AKDM4EALDH1A1PRMT5MEN1
SCHEMBL6256031 0.80 KDM4E (0.55) KMT2AKDM4EALDH1A1PRMT5MEN1
SCHEMBL6253512 0.80 KDM4E (0.55) KMT2AKDM4EALDH1A1PRMT5
SCHEMBL6254643 0.80 KMT2A (0.59) KMT2AKDM4EALDH1A1PRMT5MEN1
SCHEMBL9080523 0.80 KDM4E (0.58) KMT2AKDM4EALDH1A1PRMT5MEN1

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 KMT2A 3665/4885KDM4E 3624/4885ALDH1A1 404/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 KMT2A 3291/4885KDM4E 3321/4885ALDH1A1 392/4885

“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.