SCHEMBL22871649

SCHEMBL22871649

COC(=O)[C@H](CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ YAP1 P46937 10/20 0.61
▸ KDM4E B2RXH2 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ GPR119 Q8TDV5 1/20 0.50
▸ STS P08842 1/20 0.48
▸ CCR1 P32246 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ TGFBR1 P36897 1/20 0.44

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
SCHEMBL18822510 0.85 YAP1 (0.62) YAP1KDM4EPKMGPR119STS
SCHEMBL12249924 0.85 YAP1 (0.62) YAP1KDM4EPKMGPR119STS
SCHEMBL24530131 0.84 YAP1 (0.49) YAP1CCR1GAA
SCHEMBL19982213 0.82 YAP1 (0.85) YAP1GPR119GAA
SCHEMBL19982212 0.82 YAP1 (0.85) YAP1GPR119GAA
SCHEMBL29189817 0.82 YAP1 (0.57) YAP1KDM4EPKMGAA
SCHEMBL29968272 0.82 YAP1 (0.57) YAP1KDM4EPKMGAA
SCHEMBL7090242 0.81 KDM4E (0.69) YAP1KDM4EPKMGPR119STS
SCHEMBL20556236 0.78 YAP1 (0.60) YAP1KDM4EPKMGPR119STS
SCHEMBL18788023 0.78 YAP1 (0.60) YAP1KDM4EPKMGPR119STS

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-10888561-B2 CGRP receptor antagonists HEPTARES THERAPEUTICS LIMITED (GB) 2021-01-12 — — 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-10888561-B2 CGRP receptor antagonists CALCRL, CALCR, VIPR1 YAP1 3907/4885KDM4E 3817/4885PKM 4058/4885

“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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