SCHEMBL3270076

SCHEMBL3270076

NC(=O)COC(=O)NCC1CCN(c2ncccc2Br)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 3/20 0.42
LDHA P00338 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RECQL P46063 1/20 0.39
CHIT1 Q13231 1/20 0.38
P2RX7 Q99572 1/20 0.38
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
SIRT1 Q96EB6 2/20 0.37
SIRT3 Q9NTG7 2/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2B Q13224 1/20 0.36
TRPV1 Q8NER1 2/20 0.36

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
SCHEMBL3266163 0.90 SIRT2 (0.44) MALT1TPSAB1TPSD1TPSG1SIRT2
SCHEMBL3265621 0.85 MALT1 (0.43) MALT1KDM4ERECQLKMT2ATRPV1
SCHEMBL3267012 0.85 KDM4E (0.59) MALT1LDHAKDM4ERECQLKMT2A
SCHEMBL3265694 0.85 P2RX7 (0.47) LDHAKDM4ERECQLP2RX7CKS1B
SCHEMBL3269145 0.82 P2RX7 (0.46) LDHAKDM4ERECQLP2RX7CKS1B
SCHEMBL1728655 0.82 MALT1 (0.45) MALT1LDHAKDM4EP2RX7CKS1B
SCHEMBL3269249 0.80 HTR2C (0.47)
SCHEMBL3269155 0.78 CHIT1 (0.42) KDM4ECHIT1CKS1BSKP1SKP2
SCHEMBL3266881 0.78 BDKRB1 (0.43) CHIT1CKS1BSKP1SKP2TPSAB1
SCHEMBL2757435 0.78 DPP4 (0.44) MALT1CKS1BSKP1SKP2

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 MALT1 1283/4885LDHA 852/4885KDM4E 4402/4885

“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.