SCHEMBL1189319

SCHEMBL1189319

CC1(N2CCCC2)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.51
▸ GPR55 Q9Y2T6 1/20 0.51
▸ CYP2D6 P10635 11/20 0.49
▸ OPRM1 P35372 5/20 0.49
▸ KCNH2 Q12809 5/20 0.49
▸ CHRM2 P08172 1/20 0.49
▸ CHRM4 P08173 1/20 0.49
▸ CHRM5 P08912 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ CHRM1 P11229 1/20 0.49
▸ CHRM3 P20309 1/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HRH1 P35367 1/20 0.49
▸ DRD3 P35462 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49

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
SCHEMBL1189507 0.85 ALDH1A1 (0.49) NPSR1GPR55CYP2D6OPRM1KCNH2
SCHEMBL26094127 0.85 MEN1 (0.62) NPSR1GPR55CYP2D6OPRM1KCNH2
SCHEMBL10047375 0.77 NPSR1 (0.61) NPSR1GPR55CYP2D6OPRM1KCNH2
SCHEMBL26428644 0.75 OPRM1 (0.41) NPSR1GPR55CYP2D6OPRM1KCNH2
SCHEMBL31282961 0.75 CYP3A4 (0.53) CYP2D6CYP3A4ALOX15CYP2C9CYP1A2
SCHEMBL2054235 0.75 CYP2D6 (0.67) NPSR1CYP2D6OPRM1KCNH2CHRM2
SCHEMBL15409040 0.75 OPRM1 (0.56) CYP2D6OPRM1KCNH2CHRM2CHRM4
SCHEMBL15797515 0.74 NPSR1 (0.57) NPSR1GPR55CYP2D6OPRM1KCNH2
SCHEMBL9359082 0.74 NPSR1 (0.57) NPSR1GPR55CYP2D6OPRM1KCNH2
SCHEMBL71724 0.74 NPSR1 (0.57) NPSR1GPR55CYP2D6OPRM1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217226-B1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2015-07-22 — — EP disclosed
US-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2013-02-21 — — US disclosed
CN-101917981-B Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2012-11-14 — — CN disclosed
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 — — US disclosed
CN-101917981-A Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP 2010-12-15 — — CN disclosed
EP-2217226-A1 PEPTIDE DEFORMYLASE INHIBITORS GlaxoSmithKline LLC (US) 2010-08-18 — — EP disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 — — US disclosed
WO-2009061879-A1 PEPTIDE DEFORMYLASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-05-14 — — 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 (2 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-20130045962-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DPEP1, DHPS NPSR1 1670/4885GPR55 3338/4885CYP2D6 1998/4885
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 NPSR1 2601/4885GPR55 3424/4885CYP2D6 2051/4885

“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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