SCHEMBL21906103

SCHEMBL21906103

CCC1OC(C(F)(F)F)CN(Cc2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GRM2 Q14416 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIRT5 Q9NXA8 1/20 0.36
DPP4 P27487 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TACR1 P25103 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL21906188 0.84 OPRM1 (0.42) BRD4HPGDTSHRGRM2MEN1
SCHEMBL25111528 0.84 OPRM1 (0.42) BRD4HPGDTSHRGRM2MEN1
SCHEMBL14919433 0.84 OPRM1 (0.42) BRD4HPGDTSHRGRM2MEN1
SCHEMBL1591417 0.84 OPRM1 (0.42) BRD4HPGDTSHRGRM2MEN1
SCHEMBL21645105 0.83 AKT1 (0.41) HPGDTSHRGRM2MEN1KMT2A
SCHEMBL21645111 0.83 AKT1 (0.41) HPGDTSHRGRM2MEN1KMT2A
SCHEMBL21645108 0.83 AKT1 (0.41) HPGDTSHRGRM2MEN1KMT2A
SCHEMBL2309554 0.74 GRM2 (0.48) BRD4HPGDTSHRGRM2ALDH1A1
SCHEMBL32685260 0.73 TSHR (0.46) HPGDTSHRMEN1KMT2ASIRT5
SCHEMBL12483614 0.73 HPGD (0.48) HPGDTSHRGRM2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084064-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-03-13 US disclosed
US-12195445-B2 2-amino-N-heteroaryl-nicotinamides as Nav1.8 inhibitors MERCK SHARP & DOHME LLC (US) 2025-01-14 US disclosed
CN-113272293-B 2-Amino-N-heteroaryl-nicotinamide as NAV1.8 inhibitor 默沙东有限责任公司 2024-06-14 CN disclosed
US-20220289710-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME LLC (US) 2022-09-15 US disclosed
US-11377438-B2 2-amino-n-heteroaryl-nicotinamides as Nav1.8 inhibitors MERCK SHARP & DOHME LLC (US) 2022-07-05 US disclosed
US-20210387966-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-12-16 US disclosed
EP-3873893-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 EP disclosed
CN-113272293-A 2-amino-N-heteroaryl-nicotinamide as NAV1.8 inhibitors 默沙东公司 2021-08-17 CN disclosed
US-20200140411-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-05-07 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 (6 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-12195445-B2 2-amino-N-heteroaryl-nicotinamides as Nav1.8 inhibitors SCN8A, SCN2A, SCN1A BRD4 421/4885HPGD 393/4885TSHR 4084/4885
US-20250084064-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A BRD4 421/4885HPGD 393/4885TSHR 4084/4885
US-11377438-B2 2-amino-n-heteroaryl-nicotinamides as Nav1.8 inhibitors SCN8A, SCN2A, SCN1A BRD4 421/4885HPGD 393/4885TSHR 4084/4885
US-20220289710-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A BRD4 421/4885HPGD 393/4885TSHR 4084/4885
US-20210387966-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A BRD4 421/4885HPGD 393/4885TSHR 4084/4885
US-20200140411-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A BRD4 421/4885HPGD 393/4885TSHR 4084/4885

“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.