SCHEMBL21248014

SCHEMBL21248014

C#CCN1CCC(c2ccc(-c3cc(C(=O)O)cc4cc(-c5ccc(C(F)(F)F)cc5)ccc34)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 20/20 1.00
DRD5 P21918 4/20 0.72
DRD1 P21728 3/20 0.72
DRD3 P35462 3/20 0.72
ADRB3 P13945 3/20 0.72
SIGMAR1 Q99720 3/20 0.72
ADRA2C P18825 2/20 0.72
ADRA2A P08913 2/20 0.72
ADRA1B P35368 2/20 0.72
HTR1D P28221 2/20 0.72
HTR5A P47898 2/20 0.72
HTR1E P28566 1/20 0.72
TSPO P30536 1/20 0.72
ADRA1A P35348 1/20 0.72
KCNH2 Q12809 1/20 0.72
HRH4 Q9H3N8 1/20 0.72
TMEM97 Q5BJF2 4/20 0.68
HTR1A P08908 2/20 0.68
SLC6A2 P23975 2/20 0.68
AGTR1 P30556 2/20 0.68

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
SCHEMBL21248001 0.89 P2RY14 (1.00) P2RY14DRD5DRD1DRD3ADRB3
SCHEMBL21248047 0.88 P2RY14 (0.79) P2RY14DRD5DRD1DRD3ADRB3
SCHEMBL21248125 0.87 P2RY14 (1.00) P2RY14DRD5DRD1DRD3ADRB3
SCHEMBL21264016 0.86 P2RY14 (0.77) P2RY14DRD5DRD1DRD3ADRB3
SCHEMBL21248607 0.85 P2RY14 (1.00) P2RY14DRD5DRD1DRD3ADRB3
SCHEMBL21263892 0.84 P2RY14 (0.73) P2RY14DRD5DRD1DRD3ADRB3
SCHEMBL21248431 0.84 P2RY14 (1.00) P2RY14DRD5DRD1DRD3ADRB3
SCHEMBL30608321 0.84 P2RY14 (1.00) P2RY14DRD5DRD1DRD3ADRB3
SCHEMBL22918229 0.84 P2RY14 (1.00) P2RY14DRD5DRD1DRD3ADRB3
SCHEMBL29691782 0.84 P2RY14 (1.00) P2RY14DRD5DRD1DRD3ADRB3

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
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
EP-3749651-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2020-12-16 EP disclosed
CN-111868036-A Heterocyclic ring P2Y14Receptor antagonists 美国政府健康与人类服务部 2020-10-30 CN 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
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 1/4885DRD5 1626/4885DRD1 1787/4885
US-20210047293-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY13 P2RY14 1/4885DRD5 1626/4885DRD1 1787/4885

“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.