SCHEMBL4372076

SCHEMBL4372076

NC1C2CCc3ccccc3C12

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.63
CYP11B2 P19099 5/20 0.59
CYP19A1 P11511 4/20 0.53
CYP17A1 P05093 1/20 0.53
HTR6 P50406 2/20 0.49
IDO1 P14902 2/20 0.48
PDPK1 O15530 1/20 0.44

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
SCHEMBL28611238 0.79 KDM1A (0.96) KDM1ACYP11B2
SCHEMBL29395342 0.74 IDO1 (0.55) IDO1PDPK1
SCHEMBL29858363 0.74 IDO1 (0.55) IDO1PDPK1
SCHEMBL42780 0.74 IDO1 (0.55) IDO1PDPK1
SCHEMBL42279 0.74 IDO1 (0.55) IDO1PDPK1
SCHEMBL28840240 0.74 IDO1 (0.55) IDO1PDPK1
SCHEMBL6600 0.74 IDO1 (0.55) IDO1PDPK1
SCHEMBL12787610 0.74 IDO1 (0.55) IDO1PDPK1
Hydrochloric Acid SCHEMBL1948638 0.72 IDO1 (0.57) IDO1PDPK1
Hydrochloric Acid SCHEMBL2033301 0.72 IDO1 (0.57) IDO1PDPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US claimed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 US claimed
US-7563910-B2 Heterocyclic cannabinoid receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2009-07-21 US disclosed
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP disclosed
US-20050250769-A1 Heterocyclic cannabinoid receptor antagonists F. HOFFMANN-LA ROCHE AG (CH) 2005-11-10 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-20050250769-A1 Heterocyclic cannabinoid receptor antagonists CNR1, CNR2, GPR18 KDM1A 1750/4885CYP11B2 432/4885CYP19A1 604/4885

“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.