SCHEMBL6096856

SCHEMBL6096856

CN1C(=O)C(N)CN(CC2CC2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 8/20 0.42
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38
GABRG1 Q8N1C3 1/20 0.38
GABRG3 Q99928 1/20 0.38
GABRQ Q9UN88 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL6097700 0.89 SCN9A (0.47) SCN9A
SCHEMBL6094409 0.84 OPRL1 (0.37) SCN9AOPRL1DPP4AADAT
SCHEMBL4424732 0.77 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4424739 0.77 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL2236937 0.75 GABRP (0.43) SCN9AGABRPGABRDGABRA1GABRB1
SCHEMBL4703310 0.74 CYP1A2 (0.39) OPRM1OPRK1OPRL1AADAT
SCHEMBL4434100 0.73 EGFR (0.37) SCN9AGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL4423689 0.72 EGFR (0.41) SCN9AGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL4423682 0.72 EGFR (0.41) SCN9AGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL4434105 0.72 EGFR (0.36) SCN9AGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001901-B2 Tetrazolylpropionamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US claimed
US-20040082568-A1 Central nervous system disorders; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 US claimed
US-7001901-B2 Tetrazolylpropionamides as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-21 US disclosed
US-20040082568-A1 Central nervous system disorders; Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2004-04-29 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-20040082568-A1 Central nervous system disorders; Alzheimer's disease APP, APBA1, DNPEP SCN9A 600/4885OPRM1 2545/4885OPRK1 1722/4885

“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.