SCHEMBL6252829

SCHEMBL6252829

CC(CN[C@H]1CCCc2ccccc21)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
ADRB2 P07550 1/20 0.51
ADRB1 P08588 1/20 0.51
CYP3A4 P08684 1/20 0.51
ADRB3 P13945 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
ALDH1A1 P00352 7/20 0.50
HTT P42858 3/20 0.50
KDM4E B2RXH2 7/20 0.48
LMNA P02545 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
BCHE P06276 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47

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
SCHEMBL9520772 0.92 MAOA (0.56) KMT2AMEN1TP53CYP1A2ADRB2
SCHEMBL5715164 0.78 ADRB2 (0.66) KMT2AMEN1TP53CYP1A2ADRB2
SCHEMBL23330224 0.77 MAOA (0.64) KMT2AMEN1TP53CYP1A2ADRB2
SCHEMBL14930299 0.77 HTT (0.56) KMT2AMEN1TP53CYP1A2ADRB2
SCHEMBL1327511 0.77 HTT (0.56) KMT2AMEN1TP53CYP1A2ADRB2
SCHEMBL1327514 0.77 HTT (0.56) KMT2AMEN1TP53CYP1A2ADRB2
SCHEMBL2995330 0.77 CHRM1 (0.43) ADRA2BADRA2CADRA1A
SCHEMBL12130659 0.76 PDPK1 (0.53) KMT2AMEN1TSHRALDH1A1HTT
SCHEMBL10159937 0.76 PDPK1 (0.53) KMT2AMEN1TSHRALDH1A1HTT
SCHEMBL13164295 0.76 PDPK1 (0.53) KMT2AMEN1TSHRALDH1A1HTT

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 KMT2A 3665/4885MEN1 4807/4885TP53 4784/4885
US-20030083359-A1 Trisubstituted-N-[(1S)-1,2,3,4-terrahydro-1-naphthalenyl]benzamides which inhibit P2X2/3 containing receptors P2RX3, P2RX1, P2RX2 KMT2A 3291/4885MEN1 4765/4885TP53 4677/4885

“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.