SCHEMBL5011948

SCHEMBL5011948

CC1CC(c2ccccc2)CCN1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
PLG P00747 1/20 0.44
AKR1C3 P42330 1/20 0.43
AKR1C1 Q04828 1/20 0.43
SLC6A2 P23975 2/20 0.43
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MASP2 O00187 1/20 0.41
P2RY14 Q15391 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7121516 0.82 PLG (0.42) SLC18A3SIGMAR1PLGP2RY14
SCHEMBL7121523 0.82 PLG (0.42) SLC18A3SIGMAR1PLGP2RY14
SCHEMBL7121518 0.82 PLG (0.42) SLC18A3SIGMAR1PLGP2RY14
SCHEMBL15730577 0.82 HDAC2 (0.45) SLC18A3SIGMAR1AKR1C3AKR1C1SLC6A2
SCHEMBL4194401 0.82 HDAC2 (0.45) SLC18A3SIGMAR1AKR1C3AKR1C1SLC6A2
SCHEMBL4207545 0.82 HDAC2 (0.45) SLC18A3SIGMAR1AKR1C3AKR1C1SLC6A2
SCHEMBL18639712 0.82 HDAC2 (0.45) SLC18A3SIGMAR1AKR1C3AKR1C1SLC6A2
SCHEMBL15730212 0.82 HDAC2 (0.45) SLC18A3SIGMAR1AKR1C3AKR1C1SLC6A2
SCHEMBL23868536 0.81 PLG (0.41) SLC18A3SIGMAR1PLGP2RY14
SCHEMBL30608334 0.81 PLG (0.41) PLGP2RY14SMN1; SMN2

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 10 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
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US 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
WO-2008048053-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF PARKINSON'S DISEASE CONTAINING 1,2-DI[2-METHOXY-4-(2-CARBOXYLVINYL)]PHENOXYETHANE AS AN ACTIVE INGREDIENT KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-04-24 WO disclosed
US-4353826-A ANTITUBERCULAR ANTIBIOTICS CIBA-GEIGY CORPORATION (US) 1982-10-12 US disclosed
US-4261891-A BACTERICIDES, ANTITUBERCULAR AGENTS CIBA-GEIGY CORPORATION (US) 1981-04-14 US disclosed
US-4005077-A DERIVATIVES OF RIFAMYCIN S OR SV CIBA-GEIGY CORPORATION (US) 1977-01-25 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 (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-20240150290-A1 HETEROCYCLIC P2Y14 RECEPTOR ANTAGONISTS P2RY14, P2RY1, P2RY11 SLC18A3 2012/4885SIGMAR1 285/4885PLG 3405/4885
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 SLC18A3 2438/4885SIGMAR1 1641/4885PLG 1486/4885

“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.