SCHEMBL12285955

SCHEMBL12285955

Cn1cc(Cl)nc(N2CCC(O)CC2)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 5/20 0.58
▸ GRM2 Q14416 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ OGFRL1 Q5TC84 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ BRD4 O60885 3/20 0.35
▸ BAZ2A Q9UIF9 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ ATRIP Q8WXE1 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ PDE4A P27815 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ PDE4C Q08493 1/20 0.35
▸ PDE4D Q08499 1/20 0.35

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
SCHEMBL2557361 0.74 SCD (1.00) SCD
SCHEMBL2558848 0.72 SCD (1.00) SCD
SCHEMBL26602271 0.69 SMPD3 (0.43) PIK3CALMNAHTTATRATRIP
SCHEMBL20303204 0.66 KDM4E (0.37) SCDOPRM1OPRD1OPRK1OGFRL1
SCHEMBL13074741 0.65 BRD4 (0.41) SCDLMNAHTTBRD4BAZ2A
SCHEMBL901730 0.65 GRM2 (0.42) GRM2LMNAHTTKDM4ESMO
SCHEMBL1400767 0.65 HCRTR2 (0.47) PIK3CAIRAK1LMNAHTTCHRM3
SCHEMBL26033644 0.65 SCD (0.42) SCDKDM1AOPRM1OPRD1OPRK1
SCHEMBL9663584 0.64 BRD4 (0.37) SCDLMNABRD4BAZ2AKDM4E
SCHEMBL20302549 0.64 PDE10A (0.50) PIK3CAHTTCHRM3PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2560963-B1 PYRAZINE DERIVATIVES AS INHIBITORS OF THE ENZYME SCD-1 FOR THE TREATMENT OF CANCER DISEASES AND DIABETES PF MEDICAMENT (FR) 2016-10-05 — — EP disclosed
EP-2560963-B1 PYRAZINE DERIVATIVES AS INHIBITORS OF THE ENZYME SCD-1 FOR THE TREATMENT OF CANCER DISEASES AND DIABETES PF MEDICAMENT (FR) 2016-10-05 — — EP disclosed
US-8962837-B2 Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2015-02-24 — — US disclosed
US-8962837-B2 Nitrogen heterocycle derivatives, preparation thereof and application thereof in human therapeutics PIERRE FABRE MEDICAMENT (FR) 2015-02-24 — — US disclosed
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2013-02-14 — — US disclosed
US-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PIERRE FABRE MEDICAMENT (FR) 2013-02-14 — — US disclosed
WO-2011131593-A1 DERIVATIVES OF NITROGEN HETEROCYCLES, METHOD FOR PREPARING SAME AND USE THEREOF IN HUMAN THERAPY PIERRE FABRE MEDICAMENT (FR) 2011-10-27 — — 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-20130040928-A1 NITROGEN HETEROCYCLE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN HUMAN THERAPEUTICS PRMT1, NNMT, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 SCD 4464/4885GRM2 3315/4885KDM1A 983/4885

“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.

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