SCHEMBL20187328

SCHEMBL20187328

Cc1cnn(C)c1C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
LMNA P02545 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSD17B10 Q99714 1/20 0.43
TSHR P16473 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.41
UCHL1 P09936 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 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
SCHEMBL20187343 0.82 ALDH1A1 (0.45) ALDH1A1LMNANPSR1HSD17B10TSHR
SCHEMBL38654432 0.79 TP53 (0.52) ALDH1A1LMNANPSR1HSD17B10KMT2A
SCHEMBL30872404 0.78 GRM5 (0.37) LMNANPSR1TP53
SCHEMBL20202192 0.76 PRMT5 (0.50) ALDH1A1LMNANPSR1TSHRKMT2A
SCHEMBL20187312 0.75 ALDH1A1 (0.45) ALDH1A1LMNANPSR1HSD17B10TSHR
SCHEMBL20187322 0.75 ALDH1A1 (0.45) ALDH1A1LMNANPSR1HSD17B10TSHR
SCHEMBL30867718 0.75 TP53 (0.40) ALDH1A1LMNANPSR1HSD17B10KMT2A
SCHEMBL17155033 0.74 ALDH1A1 (0.49) ALDH1A1LMNANPSR1HSD17B10TSHR
SCHEMBL15828462 0.74 ALDH1A1 (0.44) ALDH1A1LMNANPSR1HSD17B10TSHR
SCHEMBL20170496 0.74 HSP90AA1 (0.56) ALDH1A1LMNANPSR1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110234638-B Heteroaryl phenoxy benzamide KAPPA opioid ligands 辉瑞大药厂 2022-10-21 CN 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
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
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 1595/4885LMNA 2841/4885NPSR1 32/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 ALDH1A1 1595/4885LMNA 2841/4885NPSR1 32/4885

“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.