SCHEMBL3315476

SCHEMBL3315476

CC1(C)[C@H](COCc2ccccc2)C[C@@H]1CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
PDE4D Q08499 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
CHRM3 P20309 5/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
SLC6A2 P23975 1/20 0.35
PDE4A P27815 1/20 0.35
SLC6A4 P31645 1/20 0.35
OPRM1 P35372 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
AGTR2 P50052 1/20 0.34

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
Alcohol SCHEMBL3317840 0.97 TSHR (0.37) TSHRPDE4DTAAR1LMNAKDM4E
SCHEMBL3992603 0.82 AGTR2 (0.41) TSHRLMNAACHEAGTR2
SCHEMBL3318768 0.79 TAAR1 (0.37) TSHRPDE4DTAAR1LMNABCHE
SCHEMBL3316879 0.79 LTA4H (0.47) LMNAKDM4ESLC6A3
SCHEMBL3317951 0.79 MMP1 (0.36) PDE4DTAAR1LMNAACHEAGTR2
SCHEMBL3318221 0.77 CYP2D6 (0.43) POLB
SCHEMBL28513248 0.77 VDR (0.38) TSHRPDE4DTAAR1LMNABCHE
SCHEMBL3317844 0.77 CA1 (0.36) TSHRPDE4DTAAR1LMNAPOLB
SCHEMBL22897358 0.76 TSHR (0.38) TSHRTAAR1LMNABCHEACHE
SCHEMBL3316842 0.76 LMNA (0.44) TSHRLMNACTSLCTSBCTSK

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
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
EP-2066648-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-06-10 EP disclosed
WO-2008015266-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-02-07 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 TSHR 785/4885PDE4D 1564/4885TAAR1 64/4885

“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.