SCHEMBL2991006

SCHEMBL2991006

O=C(O)[C@@H]1CCC[C@H](N(Cc2ccccc2)Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
USP2 O75604 1/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
AGER Q15109 3/20 0.44
MTNR1A P48039 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
OPRM1 P35372 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C1 Q04828 1/20 0.42
CHRM2 P08172 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
SCHEMBL19583111 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL13902931 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL19583110 1.00 MEN1 (0.46) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL1536135 0.92 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL3709552 0.87 MEN1 (0.47) MEN1KMT2AALDH1A1KDM4EGAA
SCHEMBL17723467 0.85 ALDH1A1 (0.46) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL3928101 0.85 ALDH1A1 (0.46) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL19583040 0.85 ALDH1A1 (0.46) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL1543697 0.83 TSHR (0.47) MEN1KMT2AALDH1A1USP2HPGD
SCHEMBL3919406 0.83 TSHR (0.47) MEN1KMT2AALDH1A1USP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 2257/4885KMT2A 3206/4885ALDH1A1 172/4885

“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.