SCHEMBL6254306

SCHEMBL6254306

Fc1ccc(-c2ccccc2CN[C@H]2CCCc3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 3/20 0.50
PFKFB3 Q16875 1/20 0.47
MEN1 O00255 2/20 0.46
DHODH Q02127 1/20 0.45
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADRB3 P13945 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
DHFR P00374 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
PRMT5 O14744 1/20 0.42

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
SCHEMBL7576759 0.90 KDM4E (0.60) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL6251312 0.87 KDM4E (0.53) KDM4EALDH1A1KMT2AMEN1DHODH
SCHEMBL6254168 0.84 KDM4E (0.57) KDM4EALDH1A1KMT2APFKFB3MEN1
SCHEMBL6269468 0.81 KDM4E (0.54) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL6256012 0.80 KDM4E (0.58) KDM4EALDH1A1KMT2AMEN1TP53
SCHEMBL6255013 0.79 KDM4E (0.51) KDM4EALDH1A1KMT2APFKFB3MEN1
SCHEMBL6251861 0.76 KDM4E (0.65) KDM4EALDH1A1KMT2AMEN1TAS1R3
SCHEMBL6253167 0.76 KDM4E (0.55) KDM4EALDH1A1KMT2AMEN1DHFR
SCHEMBL6252670 0.76 KDM4E (0.54) KDM4EALDH1A1KMT2ATAS1R3TAS1R1
SCHEMBL6256031 0.76 KDM4E (0.55) KDM4EALDH1A1KMT2AMEN1TAS1R3

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.