SCHEMBL6255023

SCHEMBL6255023

Clc1cccc(CN[C@H]2CCCc3ccccc32)c1Cl

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 5/20 0.59
TAS1R3 Q7RTX0 5/20 0.53
TAS1R1 Q7RTX1 5/20 0.53
TAS1R2 Q8TE23 4/20 0.53
KMT2A Q03164 2/20 0.53
POLB P06746 2/20 0.51
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
HPGD P15428 1/20 0.47
DHFR P00374 1/20 0.46

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
SCHEMBL6251273 0.81 KMT2A (0.58) KDM4EALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL7576759 0.77 KDM4E (0.60) KDM4EALDH1A1KMT2AHTTDHFR
SCHEMBL6252449 0.77 KDM4E (0.60) KDM4EALDH1A1KMT2APOLBLMNA
SCHEMBL6254240 0.76 TAS1R3 (0.56) KDM4EALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL6255863 0.76 KDM4E (0.58) KDM4EALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL6252670 0.76 KDM4E (0.54) KDM4EALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL2704412 0.76 KDM4E (0.65) KDM4EALDH1A1KMT2AHTT
SCHEMBL6252685 0.76 KDM4E (0.65) KDM4EALDH1A1KMT2AHTT
SCHEMBL6256012 0.75 KDM4E (0.58) KDM4EALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL6252359 0.74 KDM4E (0.57) KDM4EALDH1A1KMT2APOLBLMNA

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 404/4885TAS1R3 202/4885
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 392/4885TAS1R3 120/4885

“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.