SCHEMBL16495391

SCHEMBL16495391

CN1CCC(CCNC(=O)c2ccc(-c3ccccc3)nc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.55
▸ BAZ2B Q9UIF8 1/20 0.52
▸ USP30 Q70CQ3 1/20 0.51
▸ ACHE P22303 1/20 0.50
▸ CHRM4 P08173 5/20 0.49

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
SCHEMBL16495647 0.89 RAD52 (0.48) HPGDSCHRM4
SCHEMBL16495621 0.88 HPGDS (0.60) HPGDSCHRM4
SCHEMBL16495443 0.86 HPGDS (0.62) HPGDSACHECHRM4
SCHEMBL16495798 0.83 SLC6A2 (0.58) HPGDSBAZ2BUSP30
SCHEMBL2069780 0.83 HPGDS (0.69) HPGDSBAZ2BUSP30
SCHEMBL16495852 0.78 MEN1 (0.60) HPGDSBAZ2B
SCHEMBL16495873 0.78 HPGDS (0.54) HPGDSBAZ2BUSP30
SCHEMBL16495438 0.77 MEN1 (0.59) HPGDSBAZ2B
SCHEMBL16496176 0.77 MAP4K4 (0.58) HPGDS
SCHEMBL17888463 0.76 NPSR1 (0.57) ACHECHRM4

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-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 — — 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885BAZ2B 1779/4885USP30 4477/4885

“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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