SCHEMBL26639396

SCHEMBL26639396

CN1CCC2=C(C=NCN2)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL11927516 0.68 MAOA (0.36) MAOAMAOBCYP2C19
SCHEMBL19932911 0.64 MAOA (0.36) MAOAMAOBCYP2C19
SCHEMBL15157253 0.63 MAOA (0.35) MAOAMAOBCYP2C19
SCHEMBL15157450 0.62 MAOA (0.38) MAOAMAOBCYP2C19
SCHEMBL26246715 0.61 MAOA (0.33) MAOAMAOBCYP2C19
SCHEMBL18278112 0.60
SCHEMBL14724459 0.59
SCHEMBL12712111 0.58 MAOA (0.38) MAOAMAOBCYP2C19
SCHEMBL27397236 0.58 MAOA (0.33) MAOAMAOBCYP2C19
SCHEMBL8271971 0.56 MAOA (0.40) MAOAMAOBCYP2C19

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-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS CARA THERAPEUTICS INC (US) 2023-10-26 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-20230338546-A1 ORAL FORMULATIONS OF KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OGFR MAOA 1773/4885MAOB 2044/4885CYP2C19 1793/4885

“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.