SCHEMBL16658947

SCHEMBL16658947

CCN1C(=O)C(NC(=O)OC(C)(C)C)C[C@@H](c2ccccc2)[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.48
▸ KDM1A O60341 2/20 0.48
▸ MAOA P21397 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TLR2 O60603 1/20 0.39
▸ TLR1 Q15399 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ RAMP1 O60894 2/20 0.38
▸ CALCRL Q16602 2/20 0.38
▸ DRD2 P14416 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ GAA P10253 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
SCHEMBL22796836 0.89 MAOB (0.47) MAOBKDM1AMAOASIGMAR1KMT2A
SCHEMBL30683667 0.89 RAMP1 (0.48) MAOBKDM1AMAOASIGMAR1KMT2A
SCHEMBL22796345 0.89 KDM1A (0.46) MAOBKDM1AMAOASIGMAR1KMT2A
SCHEMBL20664219 0.89 RAMP1 (0.48) MAOBKDM1AMAOASIGMAR1KMT2A
SCHEMBL15280640 0.89 RAMP1 (0.48) MAOBKDM1AMAOASIGMAR1KMT2A
SCHEMBL20664272 0.89 RAMP1 (0.48) MAOBKDM1AMAOASIGMAR1KMT2A
SCHEMBL22796536 0.88 ALDH1A1 (0.44) MAOBKDM1AMAOASIGMAR1KMT2A
SCHEMBL22796746 0.88 KDM1A (0.45) MAOBKDM1AMAOASIGMAR1KMT2A
SCHEMBL16658956 0.87 RAMP1 (0.40) MAOBKDM1AMAOAKMT2AL3MBTL1
SCHEMBL22796527 0.86 MAOB (0.44) MAOBKDM1AMAOASIGMAR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-05-10 — — US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, VIPR1 MAOB 856/4885KDM1A 1616/4885MAOA 661/4885
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB2, CALCR MAOB 185/4885KDM1A 2137/4885MAOA 736/4885
US-20160130273-A1 Process for Making CGRP Receptor Antagonists CALCR, CALCRL, VIPR1 MAOB 857/4885KDM1A 1293/4885MAOA 754/4885

“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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