SCHEMBL2466673

SCHEMBL2466673

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H]([C]=O)Cc1c[nH]cn1)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 7/20 0.51
▸ CTSD P07339 1/20 0.49
▸ TFPI P10646 1/20 0.49
▸ VIPR2 P41587 4/20 0.49
▸ VIPR1 P32241 3/20 0.49
▸ BACE2 Q9Y5Z0 1/20 0.49
▸ GLP1R P43220 4/20 0.48
▸ SCTR P47872 1/20 0.48
▸ KISS1R Q969F8 1/20 0.47

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
SCHEMBL3193504 0.91 GLP1R (0.48) BACE1CTSDTFPIVIPR1GLP1R
SCHEMBL30297185 0.89 TFPI (0.58) TFPIVIPR1GLP1RSCTR
SCHEMBL2159226 0.86 NPY4R (0.50) —
SCHEMBL29871066 0.85 VIPR2 (0.56) BACE1CTSDTFPIVIPR2VIPR1
SCHEMBL29592929 0.85 TFPI (0.63) TFPIVIPR2VIPR1GLP1RSCTR
SCHEMBL29972780 0.85 TFPI (0.63) TFPIVIPR2VIPR1GLP1RSCTR
SCHEMBL8973636 0.84 TFPI (0.62) TFPIVIPR2VIPR1GLP1RSCTR
SCHEMBL29973057 0.84 GLP1R (0.61) TFPIVIPR2GLP1RSCTR
SCHEMBL8973422 0.84 TFPI (0.61) TFPIVIPR2VIPR1GLP1RSCTR
SCHEMBL8973446 0.84 TFPI (0.61) TFPIVIPR2VIPR1GLP1RSCTR

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-8017633-B2 Administering [3-cyclopropylmethoxy-4-difluoromethoxy-N-(3,5-dichloropyrid-4-yl)benzamide; hypertension, hyperlipidemia, hyperuricemia, gout and hypercoagulability NYCOMED GMBH (DE) 2011-09-13 — — US disclosed
US-20080214625-A1 Roflumilast for the Treatment of Diabetes Mellitus KONINKLIJKE HILIPS ELECTRONICS, N.V. (NL) 2008-09-04 — — 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-20080214625-A1 Roflumilast for the Treatment of Diabetes Mellitus NOS3, PLAT, PTGIS BACE1 2701/4885CTSD 615/4885TFPI 828/4885

“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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