SCHEMBL3576117

SCHEMBL3576117

COc1ccc(CCNC(=O)[C@@H]2[C@H]3C[C@H]3CN2C(=O)NCc2cccc3ccc(Cl)cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.46
PTPN1 P18031 1/20 0.45
KMT2A Q03164 1/20 0.45
MTNR1B P49286 9/20 0.45
CFD P00746 1/20 0.42
POLB P06746 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
NQO2 P16083 1/20 0.41
SNCA P37840 1/20 0.41

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
SCHEMBL3578970 0.83 POLB (0.59) MTNR1APTPN1KMT2AMTNR1BPOLB
SCHEMBL8101590 0.83 POLB (0.59) MTNR1APTPN1KMT2AMTNR1BPOLB
SCHEMBL3577280 0.79 CFD (0.48) CFD
SCHEMBL8088647 0.77 POLB (0.60) MTNR1APTPN1KMT2AMTNR1BPOLB
SCHEMBL3573103 0.77 POLB (0.60) MTNR1APTPN1KMT2AMTNR1BPOLB
SCHEMBL25592977 0.72 MEN1 (0.65) MTNR1APTPN1KMT2AMTNR1BPOLB
SCHEMBL3576515 0.72 MEN1 (0.55) MTNR1APTPN1KMT2AMTNR1BPOLB
SCHEMBL8097313 0.68 POLB (0.56) MTNR1AKMT2AMTNR1BPOLB
SCHEMBL3583135 0.68 POLB (0.56) MTNR1AKMT2AMTNR1BPOLB
SCHEMBL3582860 0.68 CFD (0.41) KMT2ACFD

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 7 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-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-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
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 MTNR1A 3845/4885PTPN1 3135/4885KMT2A 1804/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 MTNR1A 3845/4885PTPN1 3135/4885KMT2A 1804/4885

“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.