SCHEMBL30330276

SCHEMBL30330276

COCC(c1ccc(Cl)cc1)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 3/20 0.57
▸ CYP19A1 P11511 1/20 0.57
▸ SLC6A4 P31645 8/20 0.52
▸ SLC6A2 P23975 7/20 0.52
▸ SLC6A3 Q01959 5/20 0.52
▸ TACR1 P25103 8/20 0.52
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ KCNH2 Q12809 2/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ OPRD1 P41143 1/20 0.45

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
SCHEMBL8472276 0.85 SLC6A2 (0.62) CYP2D6SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL30330150 0.81 TACR1 (0.46) CYP2D6SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL15719175 0.80 CYP2D6 (0.62) CYP2D6CYP19A1SLC6A4SLC6A2SLC6A3
SCHEMBL30330305 0.80 CYP2D6 (0.62) CYP2D6CYP19A1SLC6A4SLC6A2SLC6A3
SCHEMBL11623491 0.79 CYP2D6 (0.57) CYP2D6CYP19A1SLC6A4SLC6A2SLC6A3
SCHEMBL14593323 0.79 CYP2D6 (0.57) CYP2D6CYP19A1SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL17107338 0.78 CYP2D6 (0.60) CYP2D6CYP19A1SLC6A4SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL23532325 0.78 CYP2D6 (0.55) CYP2D6CYP19A1SLC6A4SLC6A2SLC6A3
SCHEMBL13476491 0.77 SLC6A4 (0.57) CYP2D6SLC6A4SLC6A2SLC6A3TACR1
SCHEMBL11627158 0.77 CYP2D6 (0.54) CYP2D6CYP19A1SLC6A4SLC6A2SLC6A3

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-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2023-04-20 — — 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-20230117324-A1 OXAZINE MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS MGLL, LPL, LIPC CYP2D6 1085/4885CYP19A1 375/4885SLC6A4 4841/4885

“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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