SCHEMBL23779477

SCHEMBL23779477

Cc1nc(N2CCCCCC2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
TDP1 Q9NUW8 4/20 0.43
HTT P42858 1/20 0.43
AR P10275 1/20 0.42
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
GBA1 P04062 1/20 0.39
CYP1A2 P05177 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CNR2 P34972 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39

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
SCHEMBL21181781 1.00 ADRB2 (0.47) ADRB2TDP1HTTARMAPT
SCHEMBL17537344 0.95 ADRB2 (0.48) ADRB2TDP1HTTARMAPT
SCHEMBL21906031 0.84 SCN10A (0.43) ADRB2TDP1MAPTALDH1A1NR1H2
SCHEMBL30562548 0.84 SCN10A (0.43) ADRB2TDP1MAPTALDH1A1NR1H2
SCHEMBL12946112 0.84 CNR2 (0.50) ADRB2TDP1HTTMAPTALDH1A1
SCHEMBL25391105 0.83 ADRB2 (0.43) ADRB2TDP1MAPTALDH1A1NR1H2
SCHEMBL3820827 0.81 CYP1A2 (0.47) ADRB2MAPTNR1H2NR1H3CYP1A2
SCHEMBL21181747 0.81 MAP4K4 (0.48) ADRB2HTTMAPTALDH1A1MAPK1
SCHEMBL23779626 0.80 ADRB2 (0.70) ADRB2TDP1HTTARMAPT
SCHEMBL12780912 0.80 ADRB2 (0.70) ADRB2TDP1HTTARMAPT

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 ADRB2 648/4885TDP1 3949/4885HTT 3115/4885

“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.