SCHEMBL411915

SCHEMBL411915

C=C(C)N1CCC(c2cccc(C(=O)OC)n2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.45
HRH3 Q9Y5N1 2/20 0.41
RBP4 P02753 1/20 0.39
HTR1A P08908 4/20 0.39
DRD2 P14416 4/20 0.39
DRD4 P21917 4/20 0.39
KCNH2 Q12809 1/20 0.39
CYP1A2 P05177 2/20 0.38
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.38
RECQL P46063 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
AXL P30530 1/20 0.37

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
SCHEMBL412412 0.84 CNR2 (0.49) CNR2HRH3HTR1ADRD2DRD4
SCHEMBL23530104 0.84 CNR2 (0.54) CNR2HRH3CYP1A2MAPTGAA
SCHEMBL1557415 0.82 TRPV3 (0.48) CNR2MAPT
SCHEMBL15496482 0.81 KMT2A (0.39) CNR2HTR1ADRD2DRD4CYP1A2
SCHEMBL17478778 0.79 CNR2 (0.43) CNR2HRH3RBP4HTR1ADRD2
SCHEMBL410932 0.78 CNR2 (0.49) CNR2CYP1A2MAPTGAARECQL
SCHEMBL27372368 0.74 CNR2 (0.49) CNR2RBP4HTR1ADRD2DRD4
SCHEMBL30755591 0.74 CNR2 (0.49) CNR2RBP4HTR1ADRD2DRD4
SCHEMBL26428540 0.74 CNR2 (0.45) CNR2CYP1A2MAPTGAARECQL
SCHEMBL3466225 0.74 GPR119 (0.48) MAPTGAASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides BAYER CROPSCIENCE AG (DE) 2012-03-15 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-20120065197-A1 Pyridinylcarboxylic Acid Derivatives as Fungicides PNPO, CYP1A1, CHRM1 CNR2 1408/4885HRH3 1445/4885RBP4 3608/4885

“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.