SCHEMBL21980899

SCHEMBL21980899

CC(C)(C)C1CN(C(=O)c2cc(C#N)c(-c3ccc(C(F)(F)F)cc3)nc2C(F)(F)F)CCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM1A O60341 2/20 0.38
SMO Q99835 3/20 0.37
MC2R Q01718 1/20 0.37
KCNH2 Q12809 2/20 0.36
SYK P43405 1/20 0.36
P2RY12 Q9H244 5/20 0.36
TRPV1 Q8NER1 1/20 0.35
CETP P11597 1/20 0.35
XDH P47989 1/20 0.34

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 0.80 GPR119 (0.47) ALDH1A1KDM4ENPSR1KCNH2SYK
SCHEMBL22035964 0.78 KCNH2 (0.48) ALDH1A1KDM4ENPSR1KDM1AKCNH2
SCHEMBL21980906 0.78 ALDH1A1 (0.46) ALDH1A1KDM4ENPSR1KCNH2P2RY12
SCHEMBL22036424 0.78 ALDH1A1 (0.54) ALDH1A1KDM4ENPSR1P2RY12
SCHEMBL22172248 0.77 ALDH1A1 (0.46) ALDH1A1KDM4ENPSR1KCNH2P2RY12
SCHEMBL22036425 0.77 ALDH1A1 (0.42) ALDH1A1KDM4ENPSR1KCNH2SYK
SCHEMBL21980910 0.75 XDH (0.46) ALDH1A1KDM4EKDM1AXDH
SCHEMBL31075053 0.73 ENPP2 (0.44) ALDH1A1KDM4ENPSR1KDM1ASYK
SCHEMBL30918300 0.73 ALDH1A1 (0.41) ALDH1A1KDM4ENPSR1KDM1AMC2R
SCHEMBL30918298 0.73 ALDH1A1 (0.40) ALDH1A1KDM4ENPSR1KDM1ASYK

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 ALDH1A1 3511/4885KDM4E 660/4885NPSR1 1017/4885

“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.