SCHEMBL8096486

SCHEMBL8096486

CC(=O)N1C[C@H](c2ccccc2)CC1C(=O)NCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.46
TAAR1 Q96RJ0 7/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
CFD P00746 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.45
GAA P10253 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.44

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
SCHEMBL13119598 1.00 FKBP1A (0.46) FKBP1ATAAR1NPSR1TLR2TLR1
SCHEMBL3567863 0.78 KMT2A (0.48) FKBP1ACFDCYP2C19POLBMEN1
SCHEMBL3576076 0.78 KMT2A (0.48) FKBP1ACFDCYP2C19POLBMEN1
SCHEMBL8104234 0.78 POLB (0.65) FKBP1ACYP2C19POLBMEN1KMT2A
SCHEMBL13141515 0.77 F2 (0.45) FKBP1ATAAR1NPSR1CFDCYP2C19
SCHEMBL8087843 0.77 TAAR1 (0.44) FKBP1ATAAR1NPSR1CFDCYP2C19
SCHEMBL16300666 0.77 POLB (0.53) NPSR1CYP2C19POLBMEN1KMT2A
SCHEMBL8102664 0.77 FKBP1A (0.64) FKBP1ATAAR1NPSR1POLBGAA
SCHEMBL13837974 0.76 TDP1 (0.61) TAAR1MEN1KMT2A
SCHEMBL18546450 0.75 POLB (0.48) FKBP1ATAAR1NPSR1CFDPOLB

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-20130028843-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8309596-B2 Kallikrein 7 modulators NOVARTIS AG (CH) 2012-11-13 US disclosed
US-20100256144-A1 Kallikrein 7 modulators NOVARTIS AG (CH) 2010-10-07 US disclosed
WO-2009000878-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2008-12-31 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-20130028843-A1 KALLIKREIN 7 MODULATORS KLK7, KLK5, KLKB1 FKBP1A 2112/4885TAAR1 4157/4885NPSR1 1011/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 FKBP1A 2112/4885TAAR1 4157/4885NPSR1 1011/4885

“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.