SCHEMBL20569762

SCHEMBL20569762

NC1CCCc2ccc3ccccc3c21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
ANPEP P15144 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2A6 P11509 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1B1 Q16678 1/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL27474000 0.92 ADRA2A (0.45) ADRA2AADRA2BADRA2CANPEPHIF1A
Pyrrole SCHEMBL28145811 0.84 ADRA2A (0.43) ADRA2AADRA2BADRA2CANPEPHIF1A
SCHEMBL27717561 0.81 ADRA2A (0.38) ADRA2AADRA2BADRA2CANPEPHIF1A
SCHEMBL28103094 0.79 ADRA2A (0.39) ADRA2AADRA2BADRA2CANPEPHIF1A
SCHEMBL27651576 0.78 ADRA2A (0.36) ADRA2AADRA2BADRA2CANPEPHIF1A
SCHEMBL27798517 0.78 ADRA2A (0.36) ADRA2AADRA2BADRA2CANPEPHIF1A
SCHEMBL27559632 0.78 ADRA2A (0.36) ADRA2AADRA2BADRA2CANPEPHIF1A
SCHEMBL27502606 0.76 ADRA2A (0.48) ADRA2AADRA2BADRA2CHIF1ACYP1A2
SCHEMBL19827824 0.76 ANPEP (0.40) ADRA2AADRA2BADRA2CANPEPHIF1A
SCHEMBL19827821 0.76 ANPEP (0.40) ADRA2AADRA2BADRA2CANPEPHIF1A

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
US-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CHU NANTES (FR) 2021-01-14 US disclosed
EP-3630759-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT Centre National De La Recherche Scientifique (FR) 2020-04-08 EP disclosed
WO-2018215557-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-11-29 WO 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-20210009581-A1 ION CHANNEL INHIBITOR COMPOUNDS FOR CANCER TREATMENT CACNA1E, KCNA1, KCNT1 ADRA2A 677/4885ADRA2B 756/4885ADRA2C 1129/4885

“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.