Sugi Predict

Sugi Predict / Compounds / SCHEMBL16653285

SCHEMBL16653285

SCHEMBL16653285

Cc1ccccc1[C@@H]1CC(NC(=O)O)C(=O)N[C@@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.36
▸ DDB1 Q16531 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36
▸ HTR2C P28335 3/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PBRM1 Q86U86 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL15280636 0.86 GAA (0.46) KDM1AMEN1KMT2AMAOB
SCHEMBL21919581 0.86 GAA (0.46) KDM1AMEN1KMT2AMAOB
SCHEMBL35210129 0.86 GAA (0.46) KDM1AMEN1KMT2AMAOB
SCHEMBL3709136 0.85 SMN1; SMN2 (0.44) ALDH1A1HDAC4MEN1CYP1A2CYP2D6
SCHEMBL16652791 0.85 SMN1; SMN2 (0.44) ALDH1A1HDAC4MEN1CYP1A2CYP2D6
SCHEMBL16661434 0.79 DDB1 (0.42) KDM1ADDB1CRBNHTR2CHTR2A
SCHEMBL3711887 0.76 SLC6A3 (0.41) ALDH1A1
SCHEMBL16652961 0.75 HCAR2 (0.37) CRBN
SCHEMBL16653387 0.74 HCRTR2 (0.32) —
SCHEMBL17728820 0.74 HTR2A (0.35) KDM1ADDB1CRBNHTR2CHTR2A

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
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-10106541-B2 Intermediates for preparing CGRP receptor antagonists MERCK SHARP & DOHME CORP. (US) 2018-10-23 — — US disclosed
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2018-05-10 — — US 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 (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-10106541-B2 Intermediates for preparing CGRP receptor antagonists CALCR, CALCRL, VIPR1 KDM1A 1616/4885DDB1 2537/4885CRBN 1360/4885
US-20180127417-A1 INTERMEDIATES FOR PREPARING CGRP RECEPTOR ANTAGONISTS CALCR, CALCRL, VIPR1 KDM1A 1616/4885DDB1 2537/4885CRBN 1360/4885
US-20150112067-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS CCKBR, BDKRB2, CALCR KDM1A 2137/4885DDB1 1615/4885CRBN 2205/4885

“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.