SCHEMBL15280640

SCHEMBL15280640

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAMP1 O60894 5/20 0.48
▸ CALCRL Q16602 5/20 0.48
▸ MAOB P27338 2/20 0.46
▸ KDM1A O60341 2/20 0.46
▸ SCN9A Q15858 5/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAOA P21397 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ RORC P51449 1/20 0.38
▸ TLR2 O60603 1/20 0.38
▸ TLR1 Q15399 1/20 0.38

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
SCHEMBL20664272 1.00 RAMP1 (0.48) RAMP1CALCRLMAOBKDM1ASCN9A
SCHEMBL30683667 1.00 RAMP1 (0.48) RAMP1CALCRLMAOBKDM1ASCN9A
SCHEMBL20664219 1.00 RAMP1 (0.48) RAMP1CALCRLMAOBKDM1ASCN9A
SCHEMBL26619202 0.89 MDM2 (0.42) RAMP1CALCRL
SCHEMBL31511788 0.89 MDM2 (0.42) RAMP1CALCRL
SCHEMBL16658947 0.89 MAOB (0.48) RAMP1CALCRLMAOBKDM1ASIGMAR1
SCHEMBL15280637 0.88 CALCRL (0.50) RAMP1CALCRLMAOBKDM1ASCN9A
SCHEMBL20664220 0.88 CALCRL (0.50) RAMP1CALCRLMAOBKDM1ASCN9A
SCHEMBL35210147 0.88 CALCRL (0.50) RAMP1CALCRLMAOBKDM1ASCN9A
SCHEMBL30683670 0.87 CALCRL (0.51) RAMP1CALCRLKDM1ASIGMAR1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4737458-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme LLC (US) 2026-05-06 — — EP disclosed
WO-2024150250-A1 A PROCESS FOR THE PREPARATION OF ATOGEPANT AND ITS INTERMEDIATES MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2024-07-18 — — WO disclosed
US-9850246-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-12-26 — — US disclosed
US-9487523-B2 Process for making CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 — — US disclosed
US-20160130273-A1 Process for Making CGRP Receptor Antagonists MERCK SHARP & DOHME CORP. (US) 2016-05-12 — — 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
WO-2013138418-A2 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2013-09-19 — — WO 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 (2 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 RAMP1 19/4885CALCRL 7/4885MAOB 185/4885
US-20160130273-A1 Process for Making CGRP Receptor Antagonists CALCR, CALCRL, VIPR1 RAMP1 6/4885CALCRL 2/4885MAOB 857/4885

“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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