SCHEMBL6768906

SCHEMBL6768906

O=C(CNCCc1ccc(Cl)cc1Cl)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
PLA2G1B P04054 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
LMNA P02545 3/20 0.54
PDPK1 O15530 1/20 0.53
TAAR1 Q96RJ0 1/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
PLAAT3 P53816 1/20 0.52
PLAAT5 Q96KN8 1/20 0.52
PLAAT2 Q9NWW9 1/20 0.52
PLAAT4 Q9UL19 1/20 0.52
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 2/20 0.49
CNR1 P21554 1/20 0.49
METAP2 P50579 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 1/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 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
SCHEMBL5405695 0.84 TAAR1 (0.59) HPGDPLA2G1BATG4BTAAR1KMT2A
SCHEMBL6773829 0.82 CNR1 (0.55) HPGDPLA2G1BATG4BLMNATAAR1
SCHEMBL29579676 0.81 PDPK1 (0.68) HPGDLMNAPDPK1KMT2AMEN1
SCHEMBL658196 0.81 PDPK1 (0.68) HPGDLMNAPDPK1KMT2AMEN1
SCHEMBL31439249 0.80 PLA2G1B (0.55) HPGDPLA2G1BATG4BTAAR1KMT2A
SCHEMBL5628156 0.78 LMNA (0.57) HPGDPLA2G1BATG4BLMNATAAR1
SCHEMBL5318479 0.77 MAPT (0.57) HPGDLMNAPDPK1KMT2AMEN1
SCHEMBL2298164 0.77 MAPT (0.58) LMNATAAR1KMT2AMEN1PLAAT3
SCHEMBL28650574 0.77 TAAR1 (0.55) HPGDPLA2G1BATG4BTAAR1KMT2A
Hydrochloric Acid SCHEMBL28654800 0.75 HTT (0.54) HPGDPLA2G1BATG4BTAAR1KMT2A

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 HPGD 640/4885PLA2G1B 1712/4885ATG4B 1625/4885

“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.