SCHEMBL3577905

SCHEMBL3577905

CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)NCc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.55
POLB P06746 2/20 0.55
FKBP1A P62942 2/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
PKM P14618 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 3/20 0.50
MC4R P32245 2/20 0.50
MC1R Q01726 2/20 0.50
MC3R P41968 1/20 0.50
F2 P00734 1/20 0.49
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 1/20 0.46

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
SCHEMBL3572040 0.85 POLB (0.70) P2RX7POLBFKBP1ACYP3A4CYP2C9
SCHEMBL25592921 0.84 CYP3A4 (0.66) P2RX7POLBFKBP1ACYP3A4CYP2C9
SCHEMBL3573621 0.82 FKBP1A (0.68) POLBFKBP1ACYP3A4CYP2C9PKM
SCHEMBL3681344 0.82 POLB (0.58) P2RX7POLBFKBP1ACYP3A4CYP2C9
SCHEMBL25592977 0.82 MEN1 (0.65) P2RX7POLBFKBP1ACYP3A4CYP2C9
SCHEMBL5737566 0.81 P2RX7 (0.55) P2RX7POLBFKBP1ACYP3A4CYP2C9
SCHEMBL3576705 0.79 POLB (0.58) P2RX7POLBFKBP1ACYP3A4CYP2C9
SCHEMBL13380051 0.75 P2RX7 (0.51) P2RX7POLBMC4RMC1RMC3R
SCHEMBL13393869 0.74 XIAP (0.53) P2RX7POLBMC4RMC1RMC3R
SCHEMBL3576203 0.74 POLB (0.46) P2RX7POLBFKBP1ACYP3A4CYP2C9

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 3 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

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 P2RX7 2401/4885POLB 4716/4885FKBP1A 2112/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 P2RX7 2401/4885POLB 4716/4885FKBP1A 2112/4885

“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.