SCHEMBL10120657

SCHEMBL10120657

Cc1ccc(N2CCN(C)C2=O)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
DRD3 P35462 5/20 0.39
DRD2 P14416 4/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
GFER P55789 1/20 0.38
PARP1 P09874 1/20 0.38
KCNH2 Q12809 2/20 0.37
TP53 P04637 2/20 0.36
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
P2RX7 Q99572 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL23205926 0.84 DRD3 (0.39) SCN9ASCN10ADRD3DRD2RAB9A
SCHEMBL12362752 0.83 DRD3 (0.39) SCN9ASCN10ADRD3DRD2RAB9A
SCHEMBL10120650 0.82 PKM (0.49) DRD3DRD2ALDH1A1MAPTSMN1; SMN2
SCHEMBL10105625 0.80 DRD3 (0.39) SCN9ASCN10ADRD3DRD2RAB9A
SCHEMBL12362751 0.79 DRD3 (0.41) SCN9ASCN10ADRD3DRD2RAB9A
SCHEMBL8339971 0.78 SLC6A2 (0.50) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL24196348 0.78 SCN9A (0.37) SCN9ASCN10ADRD3DRD2RAB9A
SCHEMBL12427181 0.78 RAB9A (0.56) SCN9ASCN10ADRD3DRD2RAB9A
SCHEMBL15448368 0.75 DRD2 (0.55) DRD3DRD2RAB9ANPC1SMN1; SMN2
SCHEMBL2999231 0.75 DRD3 (0.38) DRD3DRD2ALDH1A1MAPTKCNH2

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R SCN9A 2498/4885SCN10A 2499/4885DRD3 161/4885

“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.