SCHEMBL13801271

SCHEMBL13801271

O=CN1CCC(N2C(=O)NCc3ccccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.46
AVPR1A P37288 1/20 0.46
OPRM1 P35372 12/20 0.43
OPRK1 P41145 11/20 0.43
OPRL1 P41146 10/20 0.43
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL5768740 0.81 HTR2C (0.48) OXTRAVPR1AOPRM1OPRK1OPRL1
SCHEMBL14486768 0.81 OPRM1 (0.52) OXTRAVPR1AOPRM1OPRK1OPRL1
SCHEMBL14410177 0.81 OXTR (0.47) OXTRAVPR1AOPRM1OPRK1OPRL1
SCHEMBL3959841 0.80 OXTR (0.53) OXTRAVPR1A
SCHEMBL7447387 0.79 OPRL1 (0.69) OXTRAVPR1AOPRM1OPRK1OPRL1
Hydrochloric Acid SCHEMBL8863969 0.79 OPRM1 (0.51) OXTRAVPR1AOPRM1OPRK1OPRL1
SCHEMBL17525073 0.78 OXTR (0.43) OXTRAVPR1AOPRM1OPRK1OPRL1
SCHEMBL17525104 0.78 GFER (0.44) OXTRAVPR1AOPRM1OPRK1OPRL1
SCHEMBL6247970 0.75 OXTR (0.49) OXTRAVPR1A
SCHEMBL6247351 0.74 OXTR (0.53) OXTRAVPR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS OXTR 62/4885AVPR1A 56/4885OPRM1 10/4885

“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.