SCHEMBL20187351

SCHEMBL20187351

C=CC/N=C/c1cn(Cc2ccccc2)nc1OC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ADORA3 P0DMS8 3/20 0.36
CYP19A1 P11511 1/20 0.35
ERBB2 P04626 1/20 0.35
PLK1 P53350 1/20 0.34
PKM P14618 1/20 0.34
DHFR P00374 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
SCHEMBL20187309 0.78 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL20187293 0.68 KMT2A (0.43) SMN1; SMN2RAB9ALMNAALDH1A1KMT2A
SCHEMBL27600423 0.68 LMNA (0.44) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL11154472 0.67 KMT2A (0.43) ALDH1A1KMT2AADORA3CYP19A1
SCHEMBL3532926 0.67 KMT2A (0.60) LMNAALDH1A1GAAKMT2AMEN1
SCHEMBL13133381 0.67 GRIN2D (0.49) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL5376994 0.66 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL7595267 0.64 CNR1 (0.47) RAB9ANPC1GAACYP19A1ERBB2
SCHEMBL17602073 0.63 MAPT (0.54) SMN1; SMN2RAB9ANPC1MAPTLMNA
SCHEMBL20187301 0.62 ALDH1A1 (0.56) SMN1; SMN2RAB9ANPC1MAPTLMNA

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 8 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
EP-3544972-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS Pfizer Inc (US) 2019-10-02 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
WO-2018096510-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS PFIZER INC. (US) 2018-05-31 WO 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 SMN1; SMN2 1454/4885RAB9A 267/4885NPC1 2458/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 SMN1; SMN2 1454/4885RAB9A 267/4885NPC1 2458/4885

“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.