SCHEMBL1543068

SCHEMBL1543068

CCOC(=O)C1(C#N)CCCC(N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
CCR5 P51681 1/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
SLC22A1 O15245 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL1543234 0.86 MEN1 (0.40) CCR5KDM4ELMNAMEN1KMT2A
SCHEMBL1543586 0.84 MAPK1 (0.38) L3MBTL1CCR5KDM4ELMNAMEN1
SCHEMBL1543430 0.80 HSD11B1 (0.44) L3MBTL1CCR5KDM4ESMN1; SMN2MEN1
SCHEMBL23274854 0.80 CCR5 (0.46) POLBPKML3MBTL1CCR5KDM4E
SCHEMBL1543248 0.79 CCR5 (0.41) L3MBTL1CCR5MEN1KMT2AALDH1A1
SCHEMBL23274958 0.78 CCR5 (0.44) POLBPKML3MBTL1CCR5KDM4E
SCHEMBL1543657 0.77 SMN1; SMN2 (0.41) CCR5KDM4ELMNASMN1; SMN2MEN1
SCHEMBL9606533 0.74 CYP1A2 (0.40) POLBPKMKDM4ELMNAMAPT
SCHEMBL14661822 0.74 OPRM1 (0.47) POLBPKMKDM4ELMNAMAPT
SCHEMBL19583039 0.73 CCR5 (0.44) L3MBTL1CCR5KDM4ELMNAMEN1

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 6 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
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 POLB 1927/4885PKM 2179/4885L3MBTL1 4532/4885

“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.