SCHEMBL22277181

SCHEMBL22277181

CC(C)c1cn2cc(Cl)c(CC(C)c3cn4cc(C(F)(F)F)ccc4n3)cc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.36
ALDH1A1 P00352 6/20 0.36
NPC1 O15118 5/20 0.36
KDM4E B2RXH2 5/20 0.36
NFKB1 P19838 4/20 0.36
RAB9A P51151 4/20 0.36
NFKB2 Q00653 4/20 0.36
RELA Q04206 4/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.36
RCE1 Q9Y256 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
TRPA1 O75762 3/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL21937449 0.81 MCHR1 (0.60) MCHR1SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL22277247 0.74 MCHR1 (0.45) MCHR1SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL720360 0.70 SMN1; SMN2 (0.50) MCHR1SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL23502136 0.68 SCN10A (0.62) MCHR1SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL23571404 0.67 SMN1; SMN2 (0.55) MCHR1SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL16386820 0.65 RAB9A (0.51) MCHR1SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL3340576 0.65 SMN1; SMN2 (0.54) MCHR1SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL798511 0.64 MCHR1 (0.45) MCHR1SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL12197120 0.62 APP (0.46) MCHR1SMN1; SMN2ALDH1A1NPC1KDM4E
SCHEMBL8814197 0.62 MCHR1 (0.57) MCHR1SMN1; SMN2ALDH1A1NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-09 US disclosed
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF DYAX CORP. (US) 2020-07-30 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-11168083-B2 Inhibitors of Plasma Kallikrein and uses thereof KLKB1, KLK1, KLK5 MCHR1 2156/4885SMN1; SMN2 4555/4885ALDH1A1 3858/4885
US-20200239463-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 MCHR1 2156/4885SMN1; SMN2 4555/4885ALDH1A1 3858/4885

“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.