SCHEMBL24200528

SCHEMBL24200528

CN1C[C@@H](F)C[C@@H]1c1cc(F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
KDM1B Q8NB78 1/20 0.45
RIPK1 Q13546 7/20 0.39
TRPA1 O75762 1/20 0.36
DPP4 P27487 2/20 0.36
SCN9A Q15858 2/20 0.35

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
SCHEMBL16310710 0.81 KDM1A (0.45) KDM1AKDM1BRIPK1TRPA1DPP4
SCHEMBL17848844 0.80 KDM1A (0.41) KDM1AKDM1BRIPK1TRPA1DPP4
SCHEMBL18783062 0.80 KDM1A (0.41) KDM1AKDM1BRIPK1DPP4
SCHEMBL17848842 0.80 KDM1A (0.41) KDM1AKDM1BRIPK1TRPA1DPP4
SCHEMBL24200680 0.77 KDM1A (0.39) KDM1AKDM1BRIPK1TRPA1DPP4
SCHEMBL21313092 0.76 SCN9A (0.44) KDM1AKDM1BRIPK1TRPA1DPP4
SCHEMBL21313058 0.76 SCN9A (0.44) KDM1AKDM1BRIPK1TRPA1DPP4
SCHEMBL22013223 0.75 TRPA1 (0.44) KDM1AKDM1BRIPK1TRPA1DPP4
SCHEMBL4294177 0.75 KDM1A (0.44) KDM1AKDM1BRIPK1
SCHEMBL20016164 0.75 KDM1A (0.44) KDM1AKDM1BRIPK1

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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR SHANGHAI ENNOVABIO PHARMACEUTICALS CO., LTD. (CN) 2022-01-20 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-20220017512-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR GRK6, ERBB2, ERBB3 KDM1A 4285/4885KDM1B 4029/4885RIPK1 115/4885

“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.