SCHEMBL8102978

SCHEMBL8102978

CC(=O)N1CCCCC1C(=O)NCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.61
CYP2C9 P11712 5/20 0.55
CYP2C19 P33261 5/20 0.55
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 1/20 0.55
CYP3A4 P08684 3/20 0.53
KMT2A Q03164 1/20 0.53
FKBP1A P62942 1/20 0.52
PKM P14618 1/20 0.51
CYP1A2 P05177 1/20 0.51
NAMPT P43490 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
VNN1 O95497 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL25658103 0.82 KDM4E (0.60) TSHRCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL27394992 0.82 CYP3A4 (0.72) CYP2C9CYP2C19ALDH1A1CYP3A4KMT2A
SCHEMBL8096850 0.82 CYP3A4 (0.72) CYP2C9CYP2C19ALDH1A1CYP3A4KMT2A
SCHEMBL30460501 0.81 CYP3A4 (0.57) TSHRCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL30460504 0.81 CYP3A4 (0.57) TSHRCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL30460513 0.81 CYP3A4 (0.57) TSHRCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL30460584 0.81 CYP3A4 (0.57) TSHRCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL14669652 0.80 ALDH1A1 (0.55) TSHRCYP2C9CYP2C19ALDH1A1CYP3A4
SCHEMBL30460491 0.79 POLB (0.64) TSHRCYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL30460499 0.79 POLB (0.64) TSHRCYP2C9CYP2C19ALDH1A1KDM4E

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 6 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-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 TSHR 2691/4885CYP2C9 3235/4885CYP2C19 3214/4885
US-20100256144-A1 Kallikrein 7 modulators KLK7, KLK5, KLKB1 TSHR 2691/4885CYP2C9 3235/4885CYP2C19 3214/4885

“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.