SCHEMBL1727740

SCHEMBL1727740

O=C(O)NCC1CCN(c2ccc(Br)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 11/20 0.47
SKP1 P63208 11/20 0.47
SKP2 Q13309 11/20 0.47
PDE10A Q9Y233 1/20 0.47
CHRM4 P08173 1/20 0.47
AKR1C3 P42330 1/20 0.47
CETP P11597 1/20 0.47
CHIT1 Q13231 1/20 0.43
DEGS1 O15121 1/20 0.43
PANK3 Q9H999 1/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL345057 0.88 CHRM4 (0.57) PDE10ACHRM4AKR1C3PPARGPPARD
SCHEMBL3784175 0.86 CETP (0.55) CKS1BSKP1SKP2PDE10ACHRM4
SCHEMBL1729621 0.86 CKS1B (0.51) CKS1BSKP1SKP2PDE10APANK3
SCHEMBL1727907 0.85 DEGS1 (0.56) CKS1BSKP1SKP2PDE10ADEGS1
SCHEMBL1728812 0.82 CKS1B (0.56) CKS1BSKP1SKP2CETP
SCHEMBL16174456 0.82 ACACB (0.41) PDE10ACHRM4AKR1C3CETPPANK3
SCHEMBL16174457 0.82 ACACB (0.41) PDE10ACHRM4AKR1C3CETPPANK3
SCHEMBL1729429 0.82 CKS1B (0.51) CKS1BSKP1SKP2CETPPPARG
SCHEMBL3269155 0.82 CHIT1 (0.42) CKS1BSKP1SKP2PDE10ACHRM4
SCHEMBL1729285 0.81 CHRM4 (0.57) CHRM4CETPPANK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed
WO-2015086693-A1 PYRAZOLOPYRIMIDIN-2-YL DERIVATIVES AS JAK INHIBITORS ALMIRALL, S.A. (ES) 2015-06-18 WO disclosed
US-20130225548-A1 Pyridine Derivative and Medicinal Agent NIPPON SHINYAKU CO., LTD. (JP) 2013-08-29 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-20130225548-A1 Pyridine Derivative and Medicinal Agent NR0B2, NR0B1, CNKSR1 CKS1B 323/4885SKP1 3583/4885SKP2 2974/4885

“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.