SCHEMBL2994352

SCHEMBL2994352

CCN1CCN(C(=O)[C@H]2CC[C@H](NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.65
GABRA5 P31644 4/20 0.47
MAP4K4 O95819 3/20 0.47
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
ACACB O00763 1/20 0.44
ACACA Q13085 1/20 0.44
EPHX2 P34913 1/20 0.44
WNT3A P56704 1/20 0.43

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
SCHEMBL2994357 1.00 HPGDS (0.65) HPGDSGABRA5MAP4K4PRKAB2PRKAG1
SCHEMBL3092680 0.91 HPGDS (0.60) HPGDSGABRA5MAP4K4PRKAB2PRKAG1
SCHEMBL2989735 0.91 HPGDS (0.60) HPGDSGABRA5MAP4K4PRKAB2PRKAG1
SCHEMBL2989738 0.91 HPGDS (0.60) HPGDSGABRA5MAP4K4PRKAB2PRKAG1
SCHEMBL2984485 0.90 HPGDS (0.63) HPGDSGABRA5MAP4K4ACACBACACA
SCHEMBL2984489 0.90 HPGDS (0.63) HPGDSGABRA5MAP4K4ACACBACACA
SCHEMBL2994529 0.89 HPGDS (0.66) HPGDSGABRA5MAP4K4
SCHEMBL2985631 0.89 HPGDS (0.66) HPGDSGABRA5MAP4K4
SCHEMBL2985636 0.89 HPGDS (0.66) HPGDSGABRA5MAP4K4
SCHEMBL2996580 0.88 HPGDS (0.65) HPGDSGABRA5MAP4K4ACACBACACA

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-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885GABRA5 1938/4885MAP4K4 2268/4885

“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.