SCHEMBL20187326

SCHEMBL20187326

Cc1c(C2=NCCC2)cnn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.39
PLK1 P53350 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
ALDH1A1 P00352 5/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.35
CHRNB4 P30926 4/20 0.33
CHRNA3 P32297 4/20 0.33
CREBBP Q92793 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33

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
SCHEMBL20187336 0.68 COMT (0.40) ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL8995474 0.64 CHRNB4 (0.47) ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL3080293 0.63 NOS3 (0.47) ALDH1A1CYP1A2CYP2C19THRBCHRNB4
SCHEMBL9533936 0.62 PLK1 (0.74) CYP11B2PLK1CSNK2A1PLK3ALDH1A1
SCHEMBL14194429 0.62 CHRNB4 (0.49) ALDH1A1KDM4ECYP1A2CYP2C19HPGD
SCHEMBL22039727 0.62 LPO (0.36) ALDH1A1KDM4ECYP1A2CYP2C19NPC1
SCHEMBL21233352 0.62 CYP11B2 (0.43) CYP11B2PLK1CSNK2A1PLK3ALDH1A1
SCHEMBL15345127 0.62 CYP11B2 (0.66) CYP11B2ALDH1A1POLBKDM4ENPC1
SCHEMBL21233338 0.62 CYP11B2 (0.51) CYP11B2PLK1CSNK2A1PLK3ALDH1A1
SCHEMBL12175373 0.62 CREBBP (0.62) CYP11B2ALDH1A1SMN1; SMN2KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3544972-B1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER (US) 2023-04-26 EP disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands PFIZER INC. (US) 2019-06-11 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 US disclosed
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 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-10316021-B2 Heteroarylphenoxy benzamide kappa opioid ligands OPRK1, OPRD1, OPRM1 CYP11B2 791/4885PLK1 4555/4885CSNK2A1 345/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 CYP11B2 791/4885PLK1 4555/4885CSNK2A1 345/4885

“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.