SCHEMBL16509008

SCHEMBL16509008

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 9/20 0.57
▸ TFPI P10646 1/20 0.56
▸ VIPR2 P41587 5/20 0.55
▸ VIPR1 P32241 4/20 0.54
▸ NPY1R P25929 2/20 0.52
▸ NPY4R P50391 2/20 0.52
▸ NPY5R Q15761 2/20 0.52

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
SCHEMBL16509135 1.00 IL23R (0.57) IL23RTFPIVIPR2VIPR1NPY1R
SCHEMBL16509090 0.96 TFPI (0.60) IL23RTFPIVIPR2VIPR1
SCHEMBL16509000 0.94 TFPI (0.59) IL23RTFPIVIPR2VIPR1
SCHEMBL29353517 0.92 TFPI (0.57) IL23RTFPINPY1RNPY4RNPY5R
SCHEMBL16509040 0.88 NPY4R (0.58) IL23RTFPINPY1RNPY4RNPY5R
SCHEMBL8894047 0.87 VIPR2 (0.52) IL23RVIPR2VIPR1
SCHEMBL30782799 0.86 VIPR2 (0.54) IL23RVIPR2VIPR1NPY1RNPY4R
SCHEMBL29973963 0.85 F2 (0.52) IL23RTFPI
SCHEMBL29974829 0.85 F2 (0.52) IL23RTFPI
SCHEMBL29479830 0.85 VIPR1 (0.69) TFPIVIPR2VIPR1

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-20110301087-A1 CRF1 RECEPTOR COMPOUNDS ANCHOR THERAPEUTICS, INC. 2011-12-08 — — 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-20110301087-A1 CRF1 RECEPTOR COMPOUNDS CRHR1, CRH, CRHR2 IL23R 677/4885TFPI 1325/4885VIPR2 168/4885

“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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