SCHEMBL16653184

SCHEMBL16653184

C[C@@H]1[C@H](c2ccccc2)CC(NC(=O)O)C(=O)N1CC(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 10/20 0.51
▸ RAMP1 O60894 9/20 0.51
▸ HDAC4 P56524 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ KDM1A O60341 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CCKBR P32239 4/20 0.37
▸ NTRK1 P04629 1/20 0.37

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
SCHEMBL30683670 1.00 CALCRL (0.51) CALCRLRAMP1HDAC4HDAC3HDAC1
SCHEMBL3706203 0.89 RAMP1 (0.43) CALCRLRAMP1HDAC4SIGMAR1KDM1A
SCHEMBL3698148 0.88 RAMP1 (0.45) CALCRLRAMP1CCKBR
SCHEMBL15227809 0.88 RAMP1 (0.45) CALCRLRAMP1CCKBR
SCHEMBL26619367 0.88 RAMP1 (0.45) CALCRLRAMP1CCKBR
SCHEMBL16653123 0.88 CALCRL (0.53) CALCRLRAMP1CCKBR
SCHEMBL3699627 0.88 CALCRL (0.53) CALCRLRAMP1CCKBR
SCHEMBL20664219 0.87 RAMP1 (0.48) CALCRLRAMP1HDAC4HDAC3HDAC1
SCHEMBL20664272 0.87 RAMP1 (0.48) CALCRLRAMP1HDAC4HDAC3HDAC1
SCHEMBL15280640 0.87 RAMP1 (0.48) CALCRLRAMP1HDAC4HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2849568-B1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2020-04-15 — — EP disclosed
EP-3430906-A1 CRYSTALLINE FORMS OF CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2019-01-23 — — EP disclosed
US-9487523-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 — — US disclosed
US-9174989-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2015-11-03 — — US disclosed
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-04-23 — — 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-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB2, CALCR CALCRL 7/4885RAMP1 19/4885HDAC4 1960/4885

“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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