SCHEMBL6773829

SCHEMBL6773829

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
ALDH1A1 P00352 2/20 0.51
TP53 P04637 1/20 0.51
HIF1A Q16665 1/20 0.51
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
USP2 O75604 1/20 0.45
MC5R P33032 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HDAC1 Q13547 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL4032355 0.88 MEN1 (0.57) CNR1ALDH1A1TP53HIF1AMEN1
SCHEMBL6768906 0.82 HPGD (0.56) CNR1TP53MEN1KMT2AMAPT
SCHEMBL5628156 0.79 LMNA (0.57) CNR1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL6767703 0.79 CNR1 (0.53) CNR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL2573252 0.76 HTT (0.59) CNR1ALDH1A1TP53HIF1AMEN1
SCHEMBL5405695 0.75 TAAR1 (0.59) CNR1ALDH1A1MEN1KMT2APLA2G1B
SCHEMBL10767541 0.75 ALDH1A1 (0.63) ALDH1A1TP53HIF1AMEN1KMT2A
Hydrochloric Acid SCHEMBL10926567 0.74 ALDH1A1 (0.61) ALDH1A1TP53HIF1AMEN1KMT2A
SCHEMBL31439249 0.74 PLA2G1B (0.55) CNR1ALDH1A1MEN1KMT2APLA2G1B
SCHEMBL22834267 0.71 CNR1 (1.00) CNR1MEN1KMT2AMAPTSMN1; SMN2

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 563/4885ALDH1A1 1288/4885TP53 501/4885

“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.