SCHEMBL1543519

SCHEMBL1543519

CCN1CCN(C(=O)C2(C#N)CCCC(N)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.44
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1543574 0.86 HSD11B1 (0.40) HSD11B1KDM4EALDH1A1
SCHEMBL1543170 0.81 MAPK1 (0.38) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL21733050 0.79 HSD11B1 (0.49) HSD11B1KDM4E
SCHEMBL1543430 0.76 HSD11B1 (0.44) HSD11B1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL27874928 0.72 GRM2 (0.31)
SCHEMBL1543279 0.70 JAK2 (0.30)
SCHEMBL22875122 0.66 ALDH1A1 (0.40) KMT2ASMN1; SMN2ALDH1A1
SCHEMBL26228017 0.66 TLR9 (0.36) HSD11B1ALDH1A1
SCHEMBL16865194 0.66 RET (0.34) HSD11B1
SCHEMBL19014039 0.64 JAK2 (0.34) HSD11B1

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 HSD11B1 1099/4885KMT2A 3206/4885SMN1; SMN2 1659/4885

“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.