SCHEMBL7943555

SCHEMBL7943555

O=C(O)[C@@H]1Cc2cc(O)ccc2CN1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
KCNH2 Q12809 1/20 0.41
SCN3A Q9NY46 1/20 0.41
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ABL1 P00519 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

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
SCHEMBL546303 1.00 EGLN1 (0.46) EGLN1OPRM1OPRD1OPRK1KCNH2
Hydrochloric Acid SCHEMBL3998414 0.98 EGLN1 (0.44) EGLN1OPRM1OPRD1OPRK1KCNH2
SCHEMBL29588998 0.93 KCNH2 (0.46) EGLN1OPRM1OPRD1OPRK1KCNH2
SCHEMBL539875 0.93 KCNH2 (0.46) EGLN1OPRM1OPRD1OPRK1KCNH2
SCHEMBL29589035 0.93 KCNH2 (0.46) EGLN1OPRM1OPRD1OPRK1KCNH2
SCHEMBL539874 0.93 KCNH2 (0.46) EGLN1OPRM1OPRD1OPRK1KCNH2
SCHEMBL1280052 0.93 KCNH2 (0.46) EGLN1OPRM1OPRD1OPRK1KCNH2
SCHEMBL29584516 0.93 KCNH2 (0.46) EGLN1OPRM1OPRD1OPRK1KCNH2
Hydrochloric Acid SCHEMBL7980093 0.92 KCNH2 (0.45) EGLN1OPRM1OPRD1OPRK1KCNH2
SCHEMBL18435402 0.85 SCN3A (0.54) OPRM1OPRD1OPRK1KCNH2SCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104161758-A Applications of tetrahydroisoquinoline-3-carboxylic acid derivatives in preparation of medicines treating dopaminergic nerve diseases UNIV SOOCHOW 2014-11-26 CN claimed
CN-104161758-A Applications of tetrahydroisoquinoline-3-carboxylic acid derivatives in preparation of medicines treating dopaminergic nerve diseases UNIV SOOCHOW 2014-11-26 CN disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO 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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS EGLN1 2220/4885OPRM1 1534/4885OPRD1 1933/4885

“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.