SCHEMBL20067069

SCHEMBL20067069

CC(=O)Cc1ccc(-c2ccccc2)c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
SHMT1 P34896 3/20 0.34
PAX8 Q06710 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 1/20 0.33
SKP2 Q13309 1/20 0.33
SHMT2 P34897 1/20 0.33
GBA1 P04062 1/20 0.33
GSTO1 P78417 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
BRD4 O60885 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGDS O60760 1/20 0.32

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
SCHEMBL8303054 0.86 ALDH1A1 (0.38) MTNR1AMTNR1BPAX8CKS1BSKP1
SCHEMBL17133441 0.81 KMT2A (0.36) MTNR1AMTNR1BPAX8CKS1BSKP1
SCHEMBL18779330 0.79 MTNR1A (0.34) MTNR1AMTNR1BPAX8CKS1BSKP1
SCHEMBL20067074 0.77 MTNR1A (0.33) MTNR1AMTNR1BPAX8CKS1BSKP1
SCHEMBL20067094 0.76 MTNR1A (0.33) MTNR1AMTNR1BPAX8CKS1BSKP1
SCHEMBL17111477 0.75 TACR1 (0.38) MTNR1AMTNR1BPAX8CKS1BSKP1
SCHEMBL17111881 0.73 KMT2A (0.39) SLC6A4L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL17111552 0.73 ALDH1A1 (0.35) SLC6A4L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL3991979 0.72 S1PR3 (0.48) ALDH1A1LMNA
SCHEMBL18779323 0.71 KDM4E (0.40) SHMT1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF MERCK SHARP & DOHME CORP. (US) 2018-04-19 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-20180105518-A1 TRKA KINASE INHIBITORS, COMPOSITIONS AND METHODS THEREOF NGFR, NTRK2, NGF MTNR1A 1826/4885MTNR1B 2032/4885SHMT1 3661/4885

“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.