SCHEMBL14050069

SCHEMBL14050069

CSCC[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 10/20 0.43
▸ OPRM1 P35372 7/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FNTA P49354 4/20 0.42
▸ FNTB P49356 4/20 0.42
▸ PGGT1B P53609 4/20 0.42

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
SCHEMBL28555237 0.90 ACE (0.40) FNTAFNTBPGGT1B
SCHEMBL30052897 0.78 KMT2A (0.63) OPRD1OPRM1OPRK1KMT2AFNTA
Water SCHEMBL10955730 0.76 OPRD1 (0.37) OPRD1OPRM1OPRK1KMT2AFNTA
SCHEMBL30052536 0.76 FNTA (0.55) OPRD1OPRM1OPRK1KMT2AFNTA
SCHEMBL632433 0.75 OPRD1 (0.62) OPRD1OPRM1OPRK1KMT2AFNTA
SCHEMBL11397444 0.75 OPRD1 (0.62) OPRD1OPRM1OPRK1KMT2AFNTA
SCHEMBL29388464 0.75 OPRD1 (0.62) OPRD1OPRM1OPRK1KMT2AFNTA
SCHEMBL1880497 0.75 OPRD1 (0.62) OPRD1OPRM1OPRK1KMT2AFNTA
SCHEMBL138411 0.75 OPRD1 (0.62) OPRD1OPRM1OPRK1KMT2AFNTA
SCHEMBL5812102 0.75 OPRD1 (0.62) OPRD1OPRM1OPRK1KMT2AFNTA

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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery NEW YORK SOCIETY FOR THE RUPTURED AND CRIPPLED MAINTAINING THE HOSPITAL FOR SPECIAL SURGERY (US) 2008-10-23 — — 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-20080260829-A1 Bone morphogenic proteins (bmp); cell adhesion modulating agent; peptidomimetics of cyclic peptides comprising classical cadherin cell adhesion recognition (CAR) sequences; modulate cell adhesion and improve drug delivery BMP1, BMP2, BMP4 OPRD1 3228/4885OPRM1 2192/4885OPRK1 3736/4885

“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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