SCHEMBL5508095

SCHEMBL5508095

O=C(C1=Cc2ccc(N3CCCC3)cc2OC1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1H4 Q96RI1 2/20 0.38
ALOX5 P09917 1/20 0.38
RARA P10276 2/20 0.37
RARG P13631 2/20 0.37
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
RARB P10826 1/20 0.35
HSD11B1 P28845 2/20 0.35
CNR2 P34972 1/20 0.35
S1PR2 O95136 1/20 0.34
TP53 P04637 1/20 0.34
EPHX2 P34913 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5505713 0.99 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HTTTSHRNPSR1
SCHEMBL5504699 0.91 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HTTTSHRNPSR1
SCHEMBL8268445 0.87 ALOX5 (0.33) ALDH1A1SMN1; SMN2HTTTSHRNPSR1
SCHEMBL8267961 0.82 ALOX5 (0.34) ALDH1A1SMN1; SMN2HTTTSHRNPSR1
SCHEMBL8267973 0.82 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2HTTTSHRNPSR1
SCHEMBL5508079 0.80 CCR2 (0.41) NR1H4ALOX5RARARARGMAPT
SCHEMBL5508253 0.78 ALOX5 (0.60) SMN1; SMN2HTTNR1H4ALOX5RARA
SCHEMBL5508964 0.77 ALOX5 (0.45) NR1H4ALOX5RARARARGLMNA
SCHEMBL5505018 0.77 ALOX5 (0.51) ALDH1A1SMN1; SMN2ALOX5MAPTLMNA
SCHEMBL5508180 0.76 NPC1 (0.44) ALDH1A1SMN1; SMN2HTTNPSR1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP claimed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO claimed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
EP-1804781-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS Merz Pharma GmbH & Co.KGaA (DE) 2007-07-11 EP disclosed
WO-2006037996-A1 NOVEL CYCLIC AND ACYCLIC PROPENONES FOR TREATING CNS DISORDERS MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-13 WO disclosed
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 934/4885SMN1; SMN2 323/4885HTT 244/4885

“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.