SCHEMBL19602920

SCHEMBL19602920

Cc1ccc2occc2c1C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.34
▸ MAOB P27338 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ HTR2A P28223 7/20 0.33
▸ HTR2C P28335 7/20 0.33
▸ HTR2B P41595 5/20 0.33
▸ PAX8 Q06710 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ FTO Q9C0B1 1/20 0.31
▸ CYP1A1 P04798 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ADORA3 P0DMS8 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL2265534 0.78 KCNA3 (0.34) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL8404363 0.74 MAOA (0.38) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL22792757 0.72 HTR2A (0.33) HTR2AHTR2CHTR2BDRD1
SCHEMBL14824860 0.71 HTR2A (0.38) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL2048407 0.71 ALDH1A1 (0.42) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL18876065 0.71 MAOA (0.36) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL17221561 0.71 MAOA (0.36) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL4429415 0.69 PAX8 (0.48) MAOAMAOBNFKB1HTR2AHTR2C
SCHEMBL25696246 0.69 BRD4 (0.32) —
SCHEMBL22792403 0.68 KCNC1 (0.31) —

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-20170326124-A1 Opioid Receptor Ligands And Methods Of Using And Making Same TREVENA, INC. 2017-11-16 — — 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-20170326124-A1 Opioid Receptor Ligands And Methods Of Using And Making Same OPRL1, OPRK1, OPRM1 MAOA 488/4885MAOB 535/4885NFKB1 4207/4885

“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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