SCHEMBL6255757

SCHEMBL6255757

Clc1ccc(-c2cccc(CN[C@H]3CCCc4ccccc43)c2)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
CFD P00746 2/20 0.49
PRMT5 O14744 1/20 0.49
ALDH1A1 P00352 3/20 0.46
DHODH Q02127 1/20 0.45
KMT2A Q03164 1/20 0.45
TAS1R3 Q7RTX0 3/20 0.45
TAS1R1 Q7RTX1 3/20 0.45
TAS1R2 Q8TE23 3/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL7050273 0.88 KDM4E (0.58) KDM4ECFDPRMT5ALDH1A1KMT2A
SCHEMBL6255863 0.88 KDM4E (0.58) KDM4EPRMT5ALDH1A1DHODHKMT2A
SCHEMBL6255013 0.85 KDM4E (0.51) KDM4ECFDPRMT5ALDH1A1KMT2A
SCHEMBL6254260 0.84 KDM4E (0.50) KDM4EPRMT5ALDH1A1DHODHKMT2A
SCHEMBL6254240 0.83 TAS1R3 (0.56) KDM4EPRMT5ALDH1A1DHODHKMT2A
SCHEMBL6255978 0.82 KDM4E (0.48) KDM4ECFDPRMT5ALDH1A1DHODH
SCHEMBL18768923 0.80 MAOB (0.50) KDM4EPRMT5ALDH1A1TAS1R3TAS1R1
SCHEMBL6267392 0.79 KDM4E (0.55) KDM4ECFDPRMT5ALDH1A1KMT2A
SCHEMBL7048944 0.79 KDM4E (0.63) KDM4EPRMT5ALDH1A1KMT2A
SCHEMBL6252685 0.79 KDM4E (0.65) 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 3 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

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-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 KDM4E 3321/4885CFD 4470/4885PRMT5 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.