SCHEMBL21905972

SCHEMBL21905972

O=C(OCc1ccccc1)N1CCCC(Cl)(Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
CYP2C19 P33261 1/20 0.53
OPRD1 P41143 1/20 0.52
OPRK1 P41145 1/20 0.52
KDM1A O60341 1/20 0.49
ENPP2 Q13822 1/20 0.47
ATXN2 Q99700 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP2D6 P10635 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC2 Q92769 1/20 0.47
CYP3A4 P08684 1/20 0.46

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
SCHEMBL29908240 0.96 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL1000788 0.84 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7424105 0.84 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL5109854 0.84 MEN1 (0.71) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL14801782 0.83 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL22482797 0.83 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL794423 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6557909 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4710641 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16611411 0.82 MEN1 (0.69) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 MEN1 4139/4885KMT2A 1842/4885NPSR1 589/4885
US-20250084064-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A MEN1 4139/4885KMT2A 1842/4885NPSR1 589/4885
US-11377438-B2 2-amino-n-heteroaryl-nicotinamides as Nav1.8 inhibitors SCN8A, SCN2A, SCN1A MEN1 4139/4885KMT2A 1842/4885NPSR1 589/4885
US-20220289710-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A MEN1 4139/4885KMT2A 1842/4885NPSR1 589/4885
US-20210387966-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A MEN1 4139/4885KMT2A 1842/4885NPSR1 589/4885
US-20200140411-A1 2-AMINO-N-HETEROARYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, SCN2A, SCN1A MEN1 4139/4885KMT2A 1842/4885NPSR1 589/4885

“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.