SCHEMBL22035964

SCHEMBL22035964

N#Cc1cc(C(=O)N2CCNCC2)c(C(F)(F)F)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.48
ALDH1A1 P00352 3/20 0.46
SCN9A Q15858 7/20 0.46
SCN7A Q01118 5/20 0.46
KDM1A O60341 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATR Q13535 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
P2RY14 Q15391 1/20 0.39
CETP P11597 1/20 0.38

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
SCHEMBL21980897 0.84 GPR119 (0.47) KCNH2ALDH1A1KDM4ENPSR1P2RY14
SCHEMBL22036424 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ENPSR1
SCHEMBL21980906 0.84 ALDH1A1 (0.46) KCNH2ALDH1A1KDM4ENPSR1
SCHEMBL22036425 0.82 ALDH1A1 (0.42) KCNH2ALDH1A1SCN9AKDM4ENPSR1
SCHEMBL22172248 0.81 ALDH1A1 (0.46) KCNH2ALDH1A1KDM4ENPSR1
SCHEMBL21980910 0.80 XDH (0.46) ALDH1A1KDM1AKDM4E
SCHEMBL30918300 0.79 ALDH1A1 (0.41) ALDH1A1SCN9AKDM1AKDM4ENPSR1
SCHEMBL31075053 0.79 ENPP2 (0.44) ALDH1A1KDM1AKDM4ENPSR1
SCHEMBL21980899 0.78 ALDH1A1 (0.39) KCNH2ALDH1A1KDM1AKDM4ENPSR1
SCHEMBL30918298 0.78 ALDH1A1 (0.40) ALDH1A1SCN9AKDM1AKDM4ENPSR1

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
EP-3889137-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2021-10-06 EP disclosed
EP-3674291-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT Nippon Soda Co., Ltd. (JP) 2020-07-01 EP disclosed
US-20200163336-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT NIPPON SODA CO., LTD. (JP) 2020-05-28 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-20200163336-A1 CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT H1-10, TAAR1, C5 KCNH2 73/4885ALDH1A1 3511/4885SCN9A 117/4885

“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.