SCHEMBL2993816

SCHEMBL2993816

CN1CCN(C2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 0.64
GABRA5 P31644 4/20 0.48
MAP4K4 O95819 2/20 0.47
DYRK1A Q13627 1/20 0.47
GRM5 P41594 1/20 0.46
USP30 Q70CQ3 1/20 0.46
BMPR1B O00238 1/20 0.45
BMPR1A P36894 1/20 0.45
ACVRL1 P37023 1/20 0.45
ACVR1 Q04771 1/20 0.45
ACACB O00763 1/20 0.45
ACACA Q13085 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL2995511 0.91 HPGDS (0.67) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2995514 0.91 HPGDS (0.67) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2985841 0.90 HPGDS (0.66) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2072921 0.90 HPGDS (0.74) HPGDSGABRA5MAP4K4DYRK1AGRM5
SCHEMBL2071549 0.90 HPGDS (0.66) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2978736 0.89 HPGDS (0.62) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2978739 0.89 HPGDS (0.62) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2986357 0.89 HPGDS (0.64) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2984485 0.88 HPGDS (0.63) HPGDSGABRA5MAP4K4DYRK1AGRM5
SCHEMBL2984489 0.88 HPGDS (0.63) HPGDSGABRA5MAP4K4DYRK1AGRM5

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-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
US-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 US disclosed
WO-2009153720-A1 NICOTINAMIDE DERIVATIVES PFIZER LIMITED (GB) 2009-12-23 WO 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.