SCHEMBL2201797

SCHEMBL2201797

COC[C@@H]1CCCN1C1CCN(C(=O)c2c(C)nn(-c3cccc(OC(F)(F)F)c3)c2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
SCN9A Q15858 2/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
HSD11B1 P28845 1/20 0.37
MGLL Q99685 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPK7 Q13164 1/20 0.36
CCR5 P51681 1/20 0.36
NOTUM Q6P988 1/20 0.36
SLC5A1 P13866 2/20 0.36
NPY5R Q15761 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35
RECQL P46063 1/20 0.35
CCR1 P32246 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
SCHEMBL2201800 1.00 KMT2A (0.48) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL4357620 0.93 KMT2A (0.42) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2203381 0.92 KMT2A (0.47) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2201167 0.92 KMT2A (0.47) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2201175 0.92 KMT2A (0.47) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2202721 0.89 KMT2A (0.49) KMT2ASCN9ASCN10AHSD11B1MGLL
SCHEMBL2202694 0.87 KMT2A (0.44) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2204481 0.87 KMT2A (0.44) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL12429653 0.85 KMT2A (0.47) KMT2ASCN9ASCN10AHSD11B1MAPT
SCHEMBL2202531 0.85 KMT2A (0.46) KMT2ASCN9ASCN10AHSD11B1MAPT

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 5 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
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 KMT2A 4057/4885SCN9A 3692/4885SCN10A 3975/4885

“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.