SCHEMBL2201137

SCHEMBL2201137

Cc1nn(-c2cccc(OC(F)(F)F)c2)c(C2CC2)c1C(=O)N1CC[C@H](N2CCCC2)C[C@H]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.37
MCHR1 Q99705 1/20 0.36
P2RX7 Q99572 2/20 0.36
NPY5R Q15761 1/20 0.35
OPRM1 P35372 1/20 0.34
CACNA2D1 P54289 1/20 0.34
EPHX2 P34913 1/20 0.34
KMT2A Q03164 1/20 0.34
GPR142 Q7Z601 1/20 0.34
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PRKCB P05771 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
SLC5A1 P13866 2/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
PIM1 P11309 1/20 0.34
CHRM2 P08172 1/20 0.34

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
SCHEMBL2202893 1.00 NOTUM (0.37) NOTUMMCHR1P2RX7NPY5ROPRM1
SCHEMBL2201145 1.00 NOTUM (0.37) NOTUMMCHR1P2RX7NPY5ROPRM1
SCHEMBL2202898 1.00 NOTUM (0.37) NOTUMMCHR1P2RX7NPY5ROPRM1
SCHEMBL2201140 1.00 NOTUM (0.37) NOTUMMCHR1P2RX7NPY5ROPRM1
SCHEMBL2199430 0.90 MCHR1 (0.37) NOTUMMCHR1P2RX7NPY5ROPRM1
SCHEMBL2199425 0.90 MCHR1 (0.37) NOTUMMCHR1P2RX7NPY5ROPRM1
SCHEMBL2199431 0.90 MCHR1 (0.37) NOTUMMCHR1P2RX7NPY5ROPRM1
SCHEMBL2203660 0.89 KMT2A (0.41) KMT2A
SCHEMBL2202105 0.89 KMT2A (0.41) KMT2A
SCHEMBL2202095 0.89 KMT2A (0.41) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 NOTUM 4406/4885MCHR1 606/4885P2RX7 48/4885

“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.