SCHEMBL23779608

SCHEMBL23779608

Cc1nc(N2CCCCCC2)c(C(=O)O)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ DHODH Q02127 2/20 0.44
▸ SCN10A Q9Y5Y9 6/20 0.43
▸ FABP3 P05413 3/20 0.43
▸ FABP4 P15090 3/20 0.43
▸ FABP5 Q01469 3/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ IP6K1 Q92551 1/20 0.40

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
SCHEMBL11278172 1.00 CNR2 (0.48) CNR2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL23779668 0.88 ALDH1A1 (0.48) CNR2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL31037380 0.87 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL31037392 0.85 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL25391058 0.85 SCN10A (0.60) SCN10A
SCHEMBL25389683 0.85 SCN10A (0.43) CNR2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11273173 0.82 ALDH1A1 (0.48) CNR2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11277095 0.79 SCN10A (0.41) KDM4EPOLBTSHRSCN10ALMNA
SCHEMBL11483862 0.79 ALDH1A1 (0.68) ALDH1A1MEN1KMT2AKDM4EMAPK1
SCHEMBL23779519 0.79 ALDH1A1 (0.45) CNR2ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119363-A1 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-04-21 — — US disclosed
EP-3873468-A1 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS Merck Sharp & Dohme Corp. (US) 2021-09-08 — — EP 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-20220119363-A1 2-AMINO-N-PHENYL-NICOTINAMIDES AS NAV1.8 INHIBITORS SCN8A, TRPV1, SCN2A CNR2 187/4885ALDH1A1 1424/4885MEN1 4464/4885

“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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