SCHEMBL6253566

SCHEMBL6253566

c1ccc2c(c1)CCC[C@@H]2NCc1ccc(N2CCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
TAOK3 Q9H2K8 2/20 0.54
TAOK1 Q7L7X3 1/20 0.54
PRMT5 O14744 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
KMT2A Q03164 1/20 0.46
DRD2 P14416 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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 0.83 KDM4E (0.65) KDM4EALDH1A1PRMT5KMT2A
SCHEMBL6252685 0.83 KDM4E (0.65) KDM4EALDH1A1PRMT5KMT2A
SCHEMBL6252449 0.81 KDM4E (0.60) KDM4EALDH1A1TAOK3PRMT5HRH3
SCHEMBL7048944 0.81 KDM4E (0.63) KDM4EALDH1A1TAOK3TAOK1PRMT5
SCHEMBL6253276 0.81 KDM4E (0.60) KDM4EALDH1A1TAOK1PRMT5HRH3
SCHEMBL18104312 0.79 KDM4E (0.57) KDM4EALDH1A1PRMT5HRH3LMNA
SCHEMBL6252359 0.78 KDM4E (0.57) KDM4EALDH1A1TAOK3PRMT5HRH3
SCHEMBL9080633 0.78 KDM4E (0.68) KDM4EALDH1A1TAOK3TAOK1PRMT5
SCHEMBL6254168 0.78 KDM4E (0.57) KDM4EALDH1A1PRMT5HRH3KMT2A
SCHEMBL6256620 0.78 ALDH1A1 (0.59) KDM4EALDH1A1PRMT5HRH3LMNA

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 2 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-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 (1 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 404/4885TAOK3 1599/4885

“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.