SCHEMBL20187301

SCHEMBL20187301

CCOC(=O)c1cn(Cc2ccccc2)nc1OC

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.56
TSHR P16473 3/20 0.51
KDM4E B2RXH2 1/20 0.50
KMT2A Q03164 1/20 0.49
MAPK1 P28482 2/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
POLB P06746 1/20 0.47
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
P2RX7 Q99572 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CYP19A1 P11511 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
AGTR1 P30556 1/20 0.44
HPGD P15428 1/20 0.44
F2RL3 Q96RI0 1/20 0.43

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
SCHEMBL3262512 0.90 ALDH1A1 (0.56) ALDH1A1LMNATSHRKDM4EKMT2A
SCHEMBL25191628 0.89 MAPT (0.47) ALDH1A1LMNAKDM4EKMT2AMAPK1
SCHEMBL5385790 0.88 ALDH1A1 (0.54) ALDH1A1LMNATSHRKDM4EKMT2A
SCHEMBL3532926 0.85 KMT2A (0.60) ALDH1A1LMNAKMT2APOLBCYP19A1
SCHEMBL20477440 0.85 ALDH1A1 (0.56) ALDH1A1LMNATSHRKDM4EKMT2A
SCHEMBL4852276 0.84 ALDH1A1 (0.59) ALDH1A1LMNATSHRKDM4EKMT2A
SCHEMBL4544356 0.83 ALDH1A1 (0.57) ALDH1A1LMNATSHRKDM4EKMT2A
SCHEMBL5372048 0.83 MEN1 (0.51) ALDH1A1LMNATSHRKMT2AMAPT
SCHEMBL24828263 0.82 TSHR (0.43) ALDH1A1TSHRKDM4EKMT2AMAPT
SCHEMBL20477455 0.82 LMNA (0.56) ALDH1A1LMNATSHRKDM4EKMT2A

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
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

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 2841/4885TSHR 420/4885
US-20180148432-A1 HETEROARYLPHENOXY BENZAMIDE KAPPA OPIOID LIGANDS OPRK1, OPRD1, OPRM1 ALDH1A1 1595/4885LMNA 2841/4885TSHR 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.