SCHEMBL6094409

SCHEMBL6094409

NC1CN(CC2CC2)c2ccccc2N(CC2CC2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.37
DPP4 P27487 1/20 0.36
SCN9A Q15858 3/20 0.36
TRPA1 O75762 2/20 0.35
AADAT Q8N5Z0 2/20 0.35
GOT1 P17174 1/20 0.35
KYAT1 Q16773 1/20 0.35
KYAT3 Q6YP21 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
GRM2 Q14416 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4703310 0.84 CYP1A2 (0.39) OPRL1TRPA1AADATCYP1A2CYP2D6
SCHEMBL6096856 0.84 SCN9A (0.42) OPRL1DPP4SCN9AAADAT
SCHEMBL4420923 0.81 OPRL1 (0.42) OPRL1SCN9ATRPA1AADAT
SCHEMBL7471730 0.81 OPRL1 (0.42) OPRL1SCN9ATRPA1AADAT
Trifluoroacetic Acid SCHEMBL6097700 0.75 SCN9A (0.47) SCN9A
SCHEMBL7038910 0.73 ALDH1A1 (0.43) SCN9AAADATGOT1KYAT1KYAT3
SCHEMBL4995780 0.71 OPRL1 (0.41) OPRL1SCN9ATRPA1CYP1A2CYP2D6
SCHEMBL8025052 0.71 OPRL1 (0.41) OPRL1SCN9ATRPA1CYP1A2CYP2D6
SCHEMBL13893712 0.70 MAOA (0.39) SCN9ATRPA1
SCHEMBL7330405 0.70 TRPA1 (0.39) OPRL1SCN9ATRPA1LMNA

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 OPRL1 436/4885DPP4 696/4885SCN9A 600/4885

“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.