SCHEMBL20187343

SCHEMBL20187343

Cc1c(C2CCCN2C(=O)OC(C)(C)C)cnn1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.43
TSHR P16473 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
SPR P35270 1/20 0.42
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
UCHL1 P09936 1/20 0.40

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
SCHEMBL28887462 0.83 CHRM2 (0.39) ALDH1A1SPR
SCHEMBL20187328 0.82 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRL3MBTL1MEN1
SCHEMBL20187327 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRL3MBTL1MEN1
SCHEMBL20202185 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRL3MBTL1MEN1
SCHEMBL20202184 0.78 ALDH1A1 (0.45) ALDH1A1HSD17B10TSHRL3MBTL1MEN1
SCHEMBL20170496 0.76 HSP90AA1 (0.56) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL20202192 0.76 PRMT5 (0.50) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL23579324 0.73 RIPK1 (0.47) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL22165572 0.73 RIPK1 (0.47) ALDH1A1TSHRL3MBTL1MEN1KMT2A
SCHEMBL25238658 0.73 HSP90AA1 (0.52) ALDH1A1TSHRL3MBTL1MEN1KMT2A

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 9 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
CN-110234638-B Heteroaryl phenoxy benzamide KAPPA opioid ligands 辉瑞大药厂 2022-10-21 CN 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
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

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 ALDH1A1 1595/4885HSD17B10 2705/4885TSHR 420/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 ALDH1A1 1595/4885HSD17B10 2705/4885TSHR 420/4885

“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.