SCHEMBL6256540

SCHEMBL6256540

FC(F)(F)c1cc(CN[C@H]2CCCc3ccccc32)cc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.55
KDM4E B2RXH2 5/20 0.52
PRMT5 O14744 1/20 0.51
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 2/20 0.49
DHODH Q02127 1/20 0.47
TACR1 P25103 1/20 0.46
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 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
SCHEMBL6254126 0.93 CCR2 (0.49) CCR2KDM4EPRMT5ALDH1A1KMT2A
SCHEMBL6253339 0.90 KDM4E (0.53) CCR2KDM4EPRMT5ALDH1A1KMT2A
SCHEMBL6257140 0.85 KDM4E (0.54) CCR2KDM4EPRMT5ALDH1A1KMT2A
SCHEMBL6256031 0.83 KDM4E (0.55) KDM4EPRMT5ALDH1A1KMT2AMEN1
SCHEMBL6255978 0.83 KDM4E (0.48) CCR2KDM4EPRMT5ALDH1A1KMT2A
SCHEMBL6254803 0.81 KDM4E (0.49) KDM4EPRMT5ALDH1A1KMT2ADHODH
SCHEMBL6255929 0.81 KDM4E (0.53) CCR2KDM4EPRMT5ALDH1A1KMT2A
SCHEMBL2704412 0.81 KDM4E (0.65) KDM4EPRMT5ALDH1A1KMT2AMEN1
SCHEMBL6252685 0.81 KDM4E (0.65) KDM4EPRMT5ALDH1A1KMT2AMEN1
SCHEMBL6253383 0.80 KDM4E (0.58) KDM4EPRMT5ALDH1A1KMT2A

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 CCR2 1287/4885KDM4E 3624/4885PRMT5 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 CCR2 1389/4885KDM4E 3321/4885PRMT5 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.