SCHEMBL4753188

SCHEMBL4753188

CCn1ccc2c1CCCC2

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.32
TSHR P16473 1/20 0.32
HTR7 P34969 1/20 0.31

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
SCHEMBL13845045 0.79
SCHEMBL8602360 0.76 KDM4E (0.42)
SCHEMBL20780055 0.75 SIGMAR1 (0.34) HTR7
SCHEMBL30587815 0.72 CES1 (0.31)
SCHEMBL5083188 0.71 DRD2 (0.47) RAB9ATSHR
SCHEMBL6809208 0.71 KDM4E (0.44) TSHR
SCHEMBL13415331 0.70 DRD2 (0.46) RAB9ATSHR
SCHEMBL22492285 0.69 HTT (0.45) RAB9ATSHR
SCHEMBL13415965 0.69 BRD4 (0.44) TSHR
SCHEMBL6407033 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272060-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2022-12-29 WO disclosed
EP-2066648-B1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2017-04-12 EP disclosed
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
WO-2008147246-A1 CATALYST FOR DEHYDROGENATION OF 4,5,6,7 TETRAHYDROINDOLE INTO INDOLE AND METHOD FOR PREPARING THEREOF A.E. FAVORSKY IRKUTSK INSTITUTE OF CHEMISTRY SIBERIAN BRANCH RUSSIAN ACADEMY OF SCIENCES (IRIH SB RAS) (RU) 2008-12-04 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-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS SIGMAR1, TMEM97, OPRK1 RAB9A 4530/4885TSHR 785/4885HTR7 185/4885

“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.