Sugi Predict

Sugi Predict / Compounds / SCHEMBL30439066

SCHEMBL30439066

SCHEMBL30439066

CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.66
▸ CRHR1 P34998 1/20 0.62
▸ CRHR2 Q13324 1/20 0.62
▸ OPRM1 P35372 2/20 0.61
▸ OPRD1 P41143 2/20 0.61
▸ OPRK1 P41145 2/20 0.61
▸ NPY2R P49146 5/20 0.59
▸ NPY4R P50391 5/20 0.59
▸ NPY5R Q15761 5/20 0.59
▸ NPY1R P25929 3/20 0.59
▸ TFPI P10646 1/20 0.59
▸ GLP1R P43220 5/20 0.58
▸ GIPR P48546 5/20 0.58

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
SCHEMBL11658979 0.97 CALCR (0.66) CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11659064 0.96 CALCR (0.66) CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL31332122 0.96 CALCR (0.64) CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL29533605 0.96 CALCR (0.63) CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL29516785 0.96 CALCR (0.64) CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL11662077 0.96 CALCR (0.67) CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL29636950 0.95 CALCR (0.72) CALCRCRHR1CRHR2OPRM1OPRD1
SCHEMBL31332022 0.95 CALCR (0.72) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL29356926 0.95 CALCR (0.72) CALCRCRHR1CRHR2NPY2RNPY4R
SCHEMBL6238339 0.95 CALCR (0.72) CALCRCRHR1CRHR2NPY2RNPY4R

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-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

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 CALCR 558/4885CRHR1 679/4885CRHR2 489/4885
US-20230190719-A1 TOPICAL FORMULATIONS OF (1S)-1-PHENYL-2-PYRIDIN-2-YLETHANAMINE TRPV1, PNN, SLC18A2 CALCR 3003/4885CRHR1 2588/4885CRHR2 2673/4885

“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.

Send feedback