SCHEMBL20670686

SCHEMBL20670686

Cc1noc(-c2cc3cc(C#N)cc(Cl)c3nc2Cl)n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 10/20 0.52
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL24610984 0.80 OPRK1 (0.41) OPRK1TP53MAPTOPRM1LRRK2
SCHEMBL22985979 0.80 OPRK1 (0.44) OPRK1TP53MAPTLRRK2ACHE
SCHEMBL20670554 0.72 OPRK1 (0.35) OPRK1TP53MAPTOPRM1LRRK2
SCHEMBL20670943 0.72 OPRK1 (0.50) OPRK1TP53MAPTOPRM1
SCHEMBL24610988 0.70 OPRK1 (0.41) OPRK1TP53MAPTOPRM1ACHE
SCHEMBL24610990 0.70 TP53 (0.35) OPRK1TP53MAPTOPRM1ACHE
SCHEMBL20670795 0.70 OPRK1 (0.40) OPRK1TP53MAPTOPRM1
SCHEMBL16945103 0.68 OPRK1 (0.45) OPRK1TP53MAPTLRRK2ACHE
SCHEMBL20670863 0.68 OPRK1 (0.50) OPRK1HCRTR1OPRM1KMT2AHPGD
SCHEMBL24610983 0.68 OPRK1 (0.38) OPRK1TP53MAPTLRRK2KMT2A

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
EP-3596069-B1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO SCRIPPS RESEARCH INST (US) 2022-07-13 — — EP disclosed
US-10676469-B2 Kappa opioid receptor antagonists and products and methods related thereto BLACKTHORN THERAPEUTICS, INC. (US) 2020-06-09 — — US disclosed
US-20190023700-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2019-01-24 — — 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-20190023700-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 OPRK1 1/4885HCRTR1 51/4885HCRTR2 130/4885
US-10676469-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 OPRK1 1/4885HCRTR1 51/4885HCRTR2 130/4885

“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.

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