SCHEMBL2986357

SCHEMBL2986357

O=C(NC1CCC(N2CCOCC2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.64
GABRA5 P31644 4/20 0.49
WNT3A P56704 3/20 0.49
MAP4K4 O95819 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46
GRM5 P41594 1/20 0.46
USP30 Q70CQ3 1/20 0.46
MAPK14 Q16539 1/20 0.45

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
SCHEMBL2982421 0.96 HPGDS (0.60) HPGDSGABRA5WNT3AMAP4K4KDM4E
SCHEMBL2072413 0.93 HPGDS (0.67) HPGDSGABRA5WNT3AMAP4K4GRM5
SCHEMBL2995514 0.91 HPGDS (0.67) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2995511 0.91 HPGDS (0.67) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2985841 0.90 HPGDS (0.66) HPGDSGABRA5MAP4K4GRM5USP30
SCHEMBL2993816 0.89 HPGDS (0.64) HPGDSGABRA5MAP4K4BMPR1BBMPR1A
SCHEMBL16496137 0.88 HPGDS (0.67) HPGDSGABRA5WNT3AMAP4K4GRM5
SCHEMBL2985442 0.88 HPGDS (0.63) HPGDSGABRA5WNT3AMAP4K4BMPR1B
SCHEMBL2984429 0.88 HPGDS (0.63) HPGDSGABRA5WNT3AMAP4K4BMPR1B
SCHEMBL2984433 0.88 HPGDS (0.63) HPGDSGABRA5WNT3AMAP4K4BMPR1B

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 1938/4885WNT3A 3244/4885

“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.