SCHEMBL1543580

SCHEMBL1543580

O=C(N[C@H]1CC[C@@H](C(=O)N2CCOCC2)C1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.60
WNT3A P56704 4/20 0.48
MAP4K4 O95819 2/20 0.47
BMPR1B O00238 2/20 0.47
BMPR1A P36894 2/20 0.47
TGFBR1 P36897 2/20 0.47
ACVRL1 P37023 2/20 0.47
ACVR1 Q04771 2/20 0.47
GABRA5 P31644 4/20 0.46
USP30 Q70CQ3 1/20 0.44
GRM5 P41594 1/20 0.42

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
SCHEMBL1543498 1.00 HPGDS (0.60) HPGDSWNT3AMAP4K4BMPR1BBMPR1A
SCHEMBL2984429 0.95 HPGDS (0.63) HPGDSWNT3AMAP4K4BMPR1BBMPR1A
SCHEMBL2984433 0.95 HPGDS (0.63) HPGDSWNT3AMAP4K4BMPR1BBMPR1A
SCHEMBL2985442 0.95 HPGDS (0.63) HPGDSWNT3AMAP4K4BMPR1BBMPR1A
SCHEMBL2989062 0.95 HPGDS (0.58) HPGDSWNT3AMAP4K4BMPR1BBMPR1A
SCHEMBL3093721 0.95 HPGDS (0.58) HPGDSWNT3AMAP4K4BMPR1BBMPR1A
SCHEMBL2989061 0.95 HPGDS (0.58) HPGDSWNT3AMAP4K4BMPR1BBMPR1A
SCHEMBL3093710 0.95 HPGDS (0.58) HPGDSWNT3AMAP4K4BMPR1BBMPR1A
SCHEMBL13240656 0.89 HPGDS (0.60) HPGDSMAP4K4GABRA5USP30GRM5
SCHEMBL1542990 0.89 HPGDS (0.60) HPGDSMAP4K4GABRA5USP30GRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307377-A1 NICOTINAMIDE DERIVATIVES Pfizer Limited (GB) 2011-04-13 EP 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
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 1073/4885WNT3A 3244/4885MAP4K4 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.