SCHEMBL6092082

SCHEMBL6092082

O=C(C=Cc1ccnc2ccccc12)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HSP90AA1 P07900 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
P2RX7 Q99572 6/20 0.47
HPGD P15428 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4728916 0.76 ALDH1A1 (0.59) ALDH1A1MAPTHTTNPC1RAB9A
SCHEMBL2385781 0.75 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL2385787 0.75 MAPT (0.62) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL11796720 0.74 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL11796726 0.74 MAPT (0.60) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL6092527 0.73 HSD11B1 (0.54) MAPTATMP2RX7HPGDMEN1
SCHEMBL6091145 0.72 GABBR2 (0.53) ALDH1A1MAPTSMN1; SMN2HTTP2RX7
SCHEMBL12040547 0.72 GABBR2 (0.53) ALDH1A1MAPTSMN1; SMN2HTTP2RX7
SCHEMBL4727011 0.72 LMNA (0.57) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL4729644 0.72 CNR2 (0.46) ALDH1A1MAPTSMN1; SMN2HTTATM

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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 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-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders PMP22, ADCYAP1R1, CYP11B2 ALDH1A1 934/4885MAPT 87/4885SMN1; SMN2 323/4885

“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.