SCHEMBL30278373

SCHEMBL30278373

O=C1Cc2ccccc2CN1C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.49
OPRK1 P41145 5/20 0.49
OPRL1 P41146 5/20 0.49
POLB P06746 1/20 0.47
PARP1 P09874 1/20 0.47
HTT P42858 1/20 0.47
ESR2 Q92731 1/20 0.47
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
PARP2 Q9UGN5 1/20 0.41
HSD11B1 P28845 1/20 0.41
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL23004922 1.00 OPRM1 (0.49) OPRM1OPRK1OPRL1POLBPARP1
SCHEMBL2210808 0.83 PARP1 (0.49) PARP1
SCHEMBL30658421 0.83 PARP1 (0.49) PARP1
Hydrochloric Acid SCHEMBL3888469 0.82 PARP1 (0.48) PARP1
SCHEMBL2213618 0.79 PARP1 (0.43) OPRM1OPRK1OPRL1PARP1KCNH2
SCHEMBL19660465 0.79 MEN1 (0.48) OPRM1OPRK1OPRL1POLBPARP1
SCHEMBL6300391 0.77 OPRM1 (0.47) OPRM1OPRK1OPRL1CHRNB4CHRNA3
SCHEMBL19663012 0.76 MEN1 (0.46) OPRM1OPRK1OPRL1POLBPARP1
SCHEMBL19643632 0.76 MAPT (0.46) POLBPARP1HTTESR2PARP2
SCHEMBL19662990 0.76 POLB (0.42) OPRM1OPRK1OPRL1POLBPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102879-A1 TRNA SYNTHETASE INHIBITORS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-03-30 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-20230102879-A1 TRNA SYNTHETASE INHIBITORS TRMT1, AARS1, GARS1 OPRM1 3187/4885OPRK1 3229/4885OPRL1 2180/4885

“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.