SCHEMBL14669652

SCHEMBL14669652

CC(=O)N1CC[C@H](C)C1C(=O)NCc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 4/20 0.55
CYP2C9 P11712 4/20 0.55
CYP2C19 P33261 4/20 0.55
KMT2A Q03164 1/20 0.55
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 1/20 0.50
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.48
RECQL P46063 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL8102978 0.80 TSHR (0.61) ALDH1A1TSHRCYP2C9CYP2C19KMT2A
SCHEMBL8096462 0.79 CYP2C19 (0.52) ALDH1A1TSHRCYP2C9CYP2C19KMT2A
SCHEMBL13119596 0.79 CYP2C19 (0.52) ALDH1A1TSHRCYP2C9CYP2C19KMT2A
SCHEMBL8100779 0.78 TSHR (0.52) ALDH1A1TSHRCYP2C9CYP2C19KMT2A
SCHEMBL13444996 0.76 CYP2C19 (0.65) ALDH1A1TSHRCYP2C9CYP2C19KMT2A
SCHEMBL13621146 0.75 ALDH1A1 (0.74) ALDH1A1TSHRCYP2C9CYP2C19KMT2A
SCHEMBL7419984 0.75 ALDH1A1 (0.70) ALDH1A1TSHRCYP2C9CYP2C19KMT2A
SCHEMBL8100592 0.73 SMN1; SMN2 (0.53) ALDH1A1TSHRCYP2C9CYP2C19KMT2A
SCHEMBL25658103 0.73 KDM4E (0.60) ALDH1A1TSHRCYP2C9CYP2C19KMT2A
SCHEMBL8100774 0.73 CYP2C19 (0.50) ALDH1A1TSHRCYP2C9CYP2C19KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130028843-A1 KALLIKREIN 7 MODULATORS NOVARTIS AG (CH) 2013-01-31 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-20130028843-A1 KALLIKREIN 7 MODULATORS KLK7, KLK5, KLKB1 ALDH1A1 4057/4885TSHR 2691/4885CYP2C9 3235/4885

“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.