SCHEMBL30273402

SCHEMBL30273402

C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 15/20 0.53
▸ OPRM1 P35372 10/20 0.53
▸ OPRK1 P41145 5/20 0.53
▸ TFPI P10646 1/20 0.52
▸ CCKBR P32239 4/20 0.52
▸ CCKAR P32238 3/20 0.52
▸ NPBWR1 P48145 1/20 0.49
▸ OPRL1 P41146 1/20 0.49

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
SCHEMBL29375967 0.89 TFPI (0.59) OPRD1OPRM1OPRK1TFPINPBWR1
SCHEMBL29663833 0.89 OPRD1 (0.53) OPRD1OPRM1OPRK1TFPICCKBR
SCHEMBL29376413 0.89 TFPI (0.56) OPRD1OPRM1OPRK1TFPINPBWR1
SCHEMBL31433273 0.89 BACE1 (0.59) —
SCHEMBL30721576 0.88 TFPI (0.61) OPRD1OPRM1OPRK1TFPINPBWR1
SCHEMBL29590452 0.88 OPRM1 (0.55) OPRD1OPRM1OPRK1TFPI
SCHEMBL31480024 0.87 OPRL1 (0.63) OPRD1OPRM1OPRK1TFPIOPRL1
SCHEMBL30343582 0.87 NPY4R (0.55) OPRD1
SCHEMBL29767368 0.87 NPY4R (0.55) OPRD1
Acetic Acid SCHEMBL29981808 0.87 LNPEP (0.53) OPRD1OPRM1OPRK1CCKBRCCKAR

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-12564579-B2 Topical formulations of (1S)-1-phenyl-2-pyridin-2-ylethanamine BIOHAVEN THERAPEUTICS LTD. (VG) 2026-03-03 — — US disclosed
US-20230190719-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE BIOHAVEN THERAPEUTICS LTD (US) 2023-06-22 — — US disclosed
EP-4168116-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE Biohaven Therapeutics Ltd. (US) 2023-04-26 — — EP disclosed
CN-115836052-A Topical formulations of (1S) -1-phenyl-2-pyridin-2-ylethylamine 拜尔哈文制药股份有限公司 2023-03-21 — — CN 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 (2 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-12564579-B2 Topical formulations of (1S)-1-phenyl-2-pyridin-2-ylethanamine CERS2, CNR2, FAAH2 OPRD1 696/4885OPRM1 507/4885OPRK1 1115/4885
US-20230190719-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE TRPV1, PNN, SLC18A2 OPRD1 51/4885OPRM1 99/4885OPRK1 49/4885

“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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