SCHEMBL21264015

SCHEMBL21264015

NC(=O)c1ccc(-c2cc(C(=O)O)cc(-c3cn(-c4ccc(C(F)(F)F)cc4)nn3)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RY14 Q15391 20/20 1.00
▸ OPRD1 P41143 6/20 1.00
▸ SIGMAR1 Q99720 3/20 1.00
▸ KCNH2 Q12809 2/20 0.85
▸ ADRA2A P08913 1/20 0.68
▸ ADRA2B P18089 1/20 0.68
▸ ADRA2C P18825 1/20 0.68
▸ TMEM97 Q5BJF2 2/20 0.67
▸ TSPO P30536 1/20 0.67

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
SCHEMBL30195805 0.92 P2RY14 (1.00) P2RY14OPRD1SIGMAR1KCNH2TMEM97
SCHEMBL22996148 0.92 P2RY14 (1.00) P2RY14OPRD1SIGMAR1KCNH2TMEM97
SCHEMBL30497387 0.89 P2RY14 (0.80) P2RY14OPRD1SIGMAR1KCNH2ADRA2A
SCHEMBL21248148 0.88 P2RY14 (0.79) P2RY14OPRD1SIGMAR1KCNH2ADRA2A
SCHEMBL29691860 0.85 P2RY14 (1.00) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL182551 0.84 P2RY14 (0.78) P2RY14OPRD1SIGMAR1KCNH2ADRA2A
SCHEMBL29691902 0.82 P2RY14 (1.00) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL30608312 0.82 P2RY14 (0.89) P2RY14OPRD1KCNH2TMEM97TSPO
SCHEMBL21263910 0.81 P2RY14 (1.00) P2RY14OPRD1SIGMAR1ADRA2AADRA2B
SCHEMBL29691872 0.80 P2RY14 (1.00) P2RY14OPRD1SIGMAR1KCNH2TMEM97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 — — US disclosed
US-11584736-B2 Heterocyclic P2Y14 receptor antagonists THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-02-21 — — US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 — — US disclosed
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-02-18 — — US disclosed
WO-2019157417-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2019-08-15 — — 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-11584736-B2 Heterocyclic P2Y14 receptor antagonists P2RY14, P2RY1, P2RY13 P2RY14 1/4885OPRD1 241/4885SIGMAR1 314/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 P2RY14 1/4885OPRD1 241/4885SIGMAR1 314/4885

“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.

Send feedback