SCHEMBL30881100

SCHEMBL30881100

CN[C@@H](Cc1ccccc1)C(=O)NCO

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.52
▸ CTSK P43235 5/20 0.52
▸ CTSL P07711 7/20 0.50
▸ CTSB P07858 5/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.48
▸ THRB P10828 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ MME P08473 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
SCHEMBL12126314 0.89 ACE (0.60) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL22695725 0.87 CTSS (0.54) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL16656682 0.87 CTSS (0.54) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL22175312 0.87 CYP3A4 (0.68) CTSSCTSKCTSLCTSBCYP3A4
SCHEMBL22317109 0.87 CTSS (0.52) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL16254357 0.87 CTSS (0.52) CTSSCTSKCTSLCTSBL3MBTL1
SCHEMBL22199401 0.86 CTSS (0.50) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL9388987 0.86 CTSS (0.49) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL9388996 0.86 CTSS (0.49) CTSSCTSKCTSLCTSBALDH1A1
SCHEMBL6927203 0.84 CTSS (0.48) CTSSCTSKCTSLCTSBCYP3A4

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-20240092740-A1 4-HYDROXYBENZOMORPHANS RENSSELAER POLYTECHNIC INSTITUTE (US) 2024-03-21 — — 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-20240092740-A1 4-HYDROXYBENZOMORPHANS HTR3C, OPRL1, OPRK1 CTSS 3282/4885CTSK 4288/4885CTSL 1314/4885

“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.

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