SCHEMBL31369737

SCHEMBL31369737

Cn1ccc2cc(CCNCC(=O)O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.46
FAAH O00519 1/20 0.46
CHRNA7 P36544 8/20 0.45
OXER1 Q8TDS5 1/20 0.44
CYP2A6 P11509 1/20 0.43
TP53 P04637 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CACNA1H O95180 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PRKCI P41743 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL31369456 0.89 FAAH (0.46) S1PR1FAAHOXER1CYP2A6CA1
SCHEMBL31369499 0.86 CHRNA7 (0.52) FAAHCHRNA7CYP2A6TRPV1
SCHEMBL6487657 0.84 OXER1 (0.51) S1PR1FAAHCHRNA7OXER1CYP2A6
SCHEMBL31036052 0.78 MTNR1A (0.52) S1PR1FAAHCHRNA7TP53TRPV1
SCHEMBL5094204 0.78 KDM4E (0.58) FAAHCHRNA7CYP2A6TRPV1CACNA1H
SCHEMBL22657420 0.76 FAAH (0.47) FAAHCHRNA7CYP2A6TP53TRPV1
SCHEMBL31036025 0.76 HPGD (0.53) S1PR1CHRNA7TP53TRPV1
SCHEMBL28839373 0.75 CHRNA7 (0.49) FAAHCHRNA7CYP2A6TRPV1CACNA1H
SCHEMBL31370404 0.75 FAAH (0.47) FAAHCHRNA7OXER1CYP2A6TRPV1
SCHEMBL30046101 0.75 PRKCI (0.50) FAAHCHRNA7CYP2A6TRPV1CACNA1H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 S1PR1 4882/4885FAAH 4657/4885CHRNA7 4697/4885

“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.