SCHEMBL5508874

SCHEMBL5508874

O=C(c1cc2ccc(N3CCOCC3)cc2o1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.52
ALDH1A1 P00352 6/20 0.47
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
EPHX2 P34913 2/20 0.46
TSHR P16473 3/20 0.41
HTT P42858 3/20 0.41
AKR1C3 P42330 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GRM1 Q13255 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL5511181 0.91 NPC1 (0.44) SLC16A3ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL5508873 0.90 NPC1 (0.43) SLC16A3ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL8268441 0.86 SLC16A3 (0.44) SLC16A3ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL24333939 0.79 SLC16A3 (0.70) SLC16A3ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL8266138 0.78 NPC1 (0.38) SLC16A3ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL5503763 0.78 CHRNA7 (0.44) ALDH1A1MAPTLMNANPC1POLB
SCHEMBL8267976 0.77 NPC1 (0.37) SLC16A3ALDH1A1MAPTKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5508193 0.77 CHRNA7 (0.43) ALDH1A1MAPTLMNANPC1POLB
SCHEMBL5509094 0.77 RAB9A (0.42) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1
SCHEMBL5505983 0.75 MAPT (0.58) ALDH1A1MAPTKMT2ASMN1; SMN2MEN1

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 SLC16A3 2574/4885ALDH1A1 934/4885MAPT 87/4885

“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.