SCHEMBL8773397

SCHEMBL8773397

CCCc1ccc2c(c1)C(C)(C)C(O)CO2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
SLC5A1 P13866 1/20 0.36
SLC5A2 P31639 1/20 0.36
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
AKR1B1 P15121 1/20 0.32
TRPA1 O75762 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
TRPV4 Q9HBA0 1/20 0.32
TRPV2 Q9Y5S1 1/20 0.32
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL8773505 0.84 PDK2 (0.35) PDK2CNR1CNR2SLC5A1SLC5A2
SCHEMBL8773492 0.70 HTR1A (0.53) CNR1CNR2MEN1KMT2A
SCHEMBL11867423 0.66 THRA (0.45)
SCHEMBL11260949 0.65 PDK2 (0.38) PDK2SLC5A1SLC5A2TRPA1
SCHEMBL8196716 0.65 SLC5A2 (0.42) CNR1CNR2SLC5A2LPLLIPG
SCHEMBL8773445 0.65 HTR1A (0.50) CNR1CNR2SLC5A1SLC5A2
SCHEMBL8255914 0.64 TAAR1 (0.52)
SCHEMBL429483 0.64 TAAR1 (0.67)
SCHEMBL22335762 0.64 CYP4F2 (0.51)
SCHEMBL5780794 0.64 PTGS2 (0.44) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778970-B2 Benzyl piperidine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-07-15 US disclosed
US-20120130077-A1 BENZYL PIPERIDINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-24 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 (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-20120130077-A1 BENZYL PIPERIDINE COMPOUND HTR1D, HTR1A, HTR1B PDK2 3070/4885CNR1 91/4885CNR2 139/4885

“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.