SCHEMBL1273340

SCHEMBL1273340

COC(=O)C1(NCC2(NC(=O)OC(C)(C)C)CCc3c(F)cc(F)cc32)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.34
HDAC4 P56524 1/20 0.32
DPP8 Q6V1X1 2/20 0.31
DPP9 Q86TI2 2/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL1274412 0.78 HDAC4 (0.33) PPIAHDAC4DPP8DPP9
Hydrochloric Acid SCHEMBL1273958 0.77 HDAC4 (0.36) HDAC4
SCHEMBL4513886 0.72 HDAC4 (0.33) HDAC4DPP8DPP9
SCHEMBL979457 0.69 BACE1 (0.33) PPIADPP8DPP9
SCHEMBL977080 0.68 BACE1 (0.35) DPP8DPP9
SCHEMBL1350921 0.68 MAPT (0.47) PPIAP2RX7
SCHEMBL1353132 0.66 MAPT (0.50) PPIAP2RX7
SCHEMBL978565 0.66 MAPT (0.50) PPIAP2RX7
SCHEMBL21451950 0.66 HDAC4 (0.39) PPIAHDAC4DPP8DPP9P2RX7
SCHEMBL4094284 0.65 MAPT (0.44) PPIA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2012-05-17 US disclosed
US-7893079-B2 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-03-04 US disclosed
US-7629338-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-7625901-B2 Substituted monocyclic CGRP receptor antagonists MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2008-12-25 US disclosed
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists MERCK SHARP & DOHME LLC 2007-11-15 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 (4 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-20100056498-A1 SUBSTITUTED MONOCYCLIC CGRP RECEPTOR ANTAGONISTS QRFPR, CALCRL, EDNRB PPIA 3547/4885HDAC4 3057/4885DPP8 3145/4885
US-20120121508-A1 RADIOLABELED CGRP ANTAGONISTS CALCRL, CALCR, GRPR PPIA 3034/4885HDAC4 4365/4885DPP8 1949/4885
US-20080318927-A1 Substituted monocyclic CGRP receptor antagonists EDNRB, CALCRL, QRFPR PPIA 3381/4885HDAC4 3091/4885DPP8 3079/4885
US-20070265225-A1 Substituted monocyclic CGRP receptor antagonists QRFPR, CALCRL, EDNRB PPIA 3547/4885HDAC4 3057/4885DPP8 3145/4885

“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.