SCHEMBL3265674

SCHEMBL3265674

NC(=O)COC(=O)NC1CCN(c2ncccc2-c2ccc(F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HTR7 P34969 2/20 0.42
HTR6 P50406 2/20 0.42
MLNR O43193 3/20 0.41
CHRM4 P08173 1/20 0.41
CHRM3 P20309 3/20 0.39
AOC3 Q16853 1/20 0.39
PAK1 Q13153 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
QPCT Q16769 1/20 0.38
QPCTL Q9NXS2 1/20 0.38

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
SCHEMBL3269143 0.91 CKS1B (0.42) HTR1ADRD2HTR7HTR6CYP3A4
SCHEMBL3269145 0.87 P2RX7 (0.46) HTR1ADRD2HTR7HTR6CHRM3
SCHEMBL3269154 0.85 HTR1A (0.43) HTR1ADRD2HTR7HTR6CHRM4
SCHEMBL1729840 0.82 KMT2A (0.45) HTR1ADRD2HTR7HTR6MLNR
SCHEMBL3265621 0.82 MALT1 (0.43) TRPV1CYP3A4KDM4ERECQLMEN1
SCHEMBL3265677 0.79 TDO2 (0.51) CHRM4AOC3
SCHEMBL3270072 0.78 SCN9A (0.44) HTR1ADRD2HTR7CHRM4CYP3A4
SCHEMBL3265694 0.78 P2RX7 (0.47) HTR1ADRD2HTR7HTR6CHRM3
SCHEMBL3265672 0.76 CHRM4 (0.45) HTR1ADRD2HTR7HTR6CHRM4
SCHEMBL1730021 0.74 HTR1A (0.41) HTR1ADRD2HTR7HTR6MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES SANOFI-AVENTIS (FR) 2012-01-05 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-20120004207-A1 THERAPEUTIC USES OF DERIVATIVES OF PIPERIDINYL-AND PIPERIDINYL-ALKYL CARBAMATES CLCN2, CLIC1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR1A 2958/4885DRD2 1223/4885HTR7 1614/4885

“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.