SCHEMBL1448089

SCHEMBL1448089

CN1CCC(CNC(=O)c2cc[c]cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.57
HDAC4 P56524 2/20 0.53
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
ROCK2 O75116 2/20 0.47
HDAC3 O15379 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
CACNA1I Q9P0X4 3/20 0.46
F2 P00734 2/20 0.46
PLG P00747 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46

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
SCHEMBL27627004 0.86 MAPK14 (0.52) NAMPTHDAC4KDM4EPKMHDAC3
SCHEMBL22122859 0.85 NAMPT (0.66) NAMPTHDAC4KDM4EPKMROCK2
SCHEMBL12093537 0.84 MMP13 (0.61) NAMPTHDAC4ROCK2HDAC3HDAC8
SCHEMBL23630645 0.83 NAMPT (0.60) NAMPTHDAC4KDM4EPKMROCK2
SCHEMBL16616770 0.82 NAMPT (0.67) NAMPTHDAC4
SCHEMBL3192308 0.82 HDAC6 (0.62) NAMPTHDAC6
SCHEMBL19226529 0.82 NAMPT (0.59) NAMPTHDAC4KDM4EPKMROCK2
SCHEMBL3036555 0.81 KDM4E (0.80) NAMPTKDM4EPKMF2PLG
SCHEMBL12090016 0.81 NAMPT (0.58) NAMPTHDAC4KDM4EPKMROCK2
SCHEMBL3039617 0.79 SMYD3 (0.53) NAMPTHDAC6

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
WO-2011030139-A1 4- (PYRIMIDIN-2-YL) -PIPERAZINE AND 4- (PYRIMIDIN-2-YL) -PIPERIDINE DERIVATIVES AS GPR119 MODULATORS ASTRAZENECA AB (SE) 2011-03-17 WO disclosed
US-20110065706-A1 Therapeutic Agents 812 ASTRAZENECA AB (SE) 2011-03-17 US 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-20110065706-A1 Therapeutic Agents 812 GPR119, GPR84, GPR132 NAMPT 1169/4885HDAC4 1692/4885KDM4E 3182/4885

“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.