SCHEMBL29691772

SCHEMBL29691772

CC(C)(C)OC(=O)N1CCCC(O)(c2ccc(Br)cc2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 3/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ FPR2 P25090 8/20 0.44
▸ FPR3 P25089 6/20 0.44
▸ DRD2 P14416 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CCR1 P32246 1/20 0.41
▸ GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL29691893 0.97 RORC (0.48) RORCMEN1KMT2AFPR2FPR3
SCHEMBL1430196 0.92 RORC (0.50) RORCMEN1KMT2AFPR2FPR3
SCHEMBL19462827 0.92 RORC (0.50) RORCMEN1KMT2AFPR2FPR3
SCHEMBL1199600 0.92 RORC (0.51) RORCFPR2FPR3DRD2CA12
SCHEMBL21836954 0.85 RORC (0.48) RORCFPR2FPR3CA12CA1
SCHEMBL652370 0.85 MEN1 (0.58) MEN1KMT2ADRD2CA12CA1
SCHEMBL1239091 0.85 RORC (0.48) RORCMEN1KMT2ADRD2CCR1
SCHEMBL3695939 0.84 RORC (0.54) RORCFPR2FPR3DRD2CA12
SCHEMBL15595091 0.84 TSHR (0.53) MEN1KMT2AGPR119
SCHEMBL16874679 0.84 ALDH1A1 (0.51) MEN1KMT2AMAPTGPR119

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
EP-4434522-A2 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2024-09-25 — — EP disclosed
US-20240150290-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA,AS REPRESENTED BY THE SECRETARY,DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-05-09 — — US disclosed
EP-4277895-A1 HETEROCYCLIC P2Y 14 RECEPTOR ANTAGONISTS The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2023-11-22 — — EP disclosed
CN-116964034-A Heterocyclic ring P2Y 14 Receptor antagonists 美国卫生和人力服务部 2023-10-27 — — CN disclosed
WO-2022155037-A1 HETEROCYCLIC P2Y 14 RECEPTOR ANTAGONISTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-07-21 — — 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 (1 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-20240150290-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY11 RORC 1027/4885MEN1 2957/4885KMT2A 3669/4885

“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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