SCHEMBL20670865

SCHEMBL20670865

N#Cc1cc2cc(C(F)(F)F)cc(F)c2[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.35
▸ KDM4E B2RXH2 8/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ IDH1 O75874 2/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ GAA P10253 5/20 0.34
▸ HPGD P15428 5/20 0.34
▸ GLA P06280 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ DAO P14920 2/20 0.33
▸ DPYD Q12882 1/20 0.33
▸ CYP11B1 P15538 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 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
SCHEMBL22985983 0.73 MPL (0.39) XDHKDM4EPGRALDH1A1GAA
SCHEMBL10285831 0.69 GRIN1 (0.47) KDM4EPGRALDH1A1GAADAO
SCHEMBL24610995 0.67 KDM5A (0.36) XDHKDM4ENPSR1IDH1ALDH1A1
SCHEMBL29559896 0.67 KDM4E (0.49) XDHKDM4EIDH1ALDH1A1GAA
SCHEMBL22866492 0.67 KDM4E (0.49) XDHKDM4EIDH1ALDH1A1GAA
SCHEMBL9314066 0.67 CYP11B1 (0.41) PGRCYP11B1CYP11B2TRPV4
SCHEMBL22985985 0.66 OPRK1 (0.41) KDM4ENPSR1ALDH1A1HPGDKMT2A
SCHEMBL9730459 0.66 MCL1 (0.49) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL30896270 0.66 KDM4E (0.41) KDM4ENPSR1ALDH1A1GAAHPGD
SCHEMBL25426966 0.66 HSD17B10 (0.49) KDM4ENPSR1IDH1ALDH1A1GAA

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 4 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-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO Neumora Therapeutics, Inc. 2022-05-26 — — US 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 (3 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-20220162202-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 XDH 349/4885KDM4E 1625/4885NPSR1 12/4885
US-20190023700-A1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO OPRK1, OPRD1, OPRM1 XDH 356/4885KDM4E 1649/4885NPSR1 12/4885
US-10676469-B2 Kappa opioid receptor antagonists and products and methods related thereto OPRK1, OPRD1, OPRM1 XDH 356/4885KDM4E 1649/4885NPSR1 12/4885

“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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