SCHEMBL6767703

SCHEMBL6767703

CC(=O)Nc1ccc(C(O)CNCCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ADRB1 P08588 6/20 0.45
ADRB3 P13945 6/20 0.45
LMNA P02545 2/20 0.44
ADRB2 P07550 1/20 0.44
OPRK1 P41145 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL4028602 0.88 OPRK1 (0.57) CNR1MEN1KMT2AMAPTHTT
SCHEMBL6767270 0.80 KMT2A (0.59) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL5629271 0.80 LMNA (0.55) CNR1MEN1KMT2AADRB1ADRB3
SCHEMBL6773829 0.79 CNR1 (0.55) CNR1MEN1KMT2AMAPTHTT
SCHEMBL2568962 0.77 HTT (0.52) CNR1MEN1KMT2AMAPTHTT
SCHEMBL15995630 0.73 ADRB2 (0.69) SMN1; SMN2ADRB1ADRB3ADRB2
SCHEMBL5436525 0.71 KMT2A (0.63) CNR1MEN1KMT2AALDH1A1TAAR1
SCHEMBL6318456 0.70 TDP1 (0.58) MEN1KMT2AMAPTHTTSMN1; SMN2
SCHEMBL22834267 0.70 CNR1 (1.00) CNR1MEN1KMT2AMAPTHTT
SCHEMBL29615227 0.70 CNR1 (1.00) CNR1MEN1KMT2AMAPTHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703405-B2 RESPIRATORY SYSTEM AND SLEEP DISORDERS; HPOTENSIVE AGENTS; ANTIISCHEMIC, ANTISTROKE, ANTIEDEMA, ANTISTROKE, ANTICARCINOGENIC, AND ANTIDIABETIC AGENTS; ATHEROSCLEROSIS, GALLSTONE TREATMENT AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-03-09 US disclosed
US-20030171580-A1 Substituted 4-phenyltetrahydroisoquinolinium salts, process for their preparation, their use as a medicament, and medicament containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-09-11 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-20030171580-A1 Substituted 4-phenyltetrahydroisoquinolinium salts, process for their preparation, their use as a medicament, and medicament containing them ABCB11, SLC10A1, REN CNR1 563/4885MEN1 2747/4885KMT2A 2944/4885

“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.