SCHEMBL2923930

SCHEMBL2923930

Ic1cccc(CN2CCNCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.62
CXCR4 P61073 9/20 0.50
FAAH O00519 1/20 0.50
HTR2C P28335 1/20 0.49
MEN1 O00255 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
ADRA2C P18825 1/20 0.49
CCR2 P41597 1/20 0.49
CXCL12 P48061 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
HTR2A P28223 1/20 0.48

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
SCHEMBL21961925 0.85 SIGMAR1 (0.71) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL1259602 0.85 SIGMAR1 (0.71) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL2225221 0.84 PRMT6 (0.62) SIGMAR1FAAHTDP1HRH3HTR2A
Bromide SCHEMBL1259195 0.84 SIGMAR1 (0.69) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL26149604 0.82 SMN1; SMN2 (0.64) SIGMAR1FAAHTDP1HRH3
SCHEMBL593734 0.79 SIGMAR1 (0.62) SIGMAR1CXCR4MEN1KMT2AHRH3
SCHEMBL807251 0.79 NCF1 (0.66) SIGMAR1CXCR4FAAHHRH3HTR2A
SCHEMBL21799527 0.79 PRMT6 (0.72) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL6858101 0.79 SIGMAR1 (0.62) SIGMAR1CXCR4MEN1CHRM2CHRM1
SCHEMBL8879213 0.79 SIGMAR1 (0.62) SIGMAR1CXCR4MEN1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN disclosed
CN-101896473-A Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2010-11-24 CN disclosed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
WO-2010036814-A1 SELECTIVE SEPRASE INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2010-04-01 WO disclosed
CN-101686979-A The urea modulators that the heteroaryl of fatty acid amide hydrolase replaces JANSSEN PHARMACEUTICA NV 2010-03-31 CN disclosed
EP-2164493-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2010-03-24 EP disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-03-05 US disclosed
WO-2008153752-A2 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-18 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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SIGMAR1 2689/4885CXCR4 4614/4885FAAH 191/4885
US-20090062294-A1 HETEROARYL-SUBSTITUTED UREA MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, GPR119 SIGMAR1 1261/4885CXCR4 1124/4885FAAH 1/4885

“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.