SCHEMBL5504965

SCHEMBL5504965

CC(=O)Nc1ccc2cc(C(=O)C34CC5CC(CC(C5)C3)C4)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 4/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
TNNI3 P19429 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
SCHEMBL8266580 0.86 NPC1 (0.38) NPC1ALDH1A1POLBRAB9AMEN1
SCHEMBL5503763 0.80 CHRNA7 (0.44) NPC1ALDH1A1POLBRAB9AMAPT
SCHEMBL5510096 0.79 CYP2D6 (0.49) ALDH1A1RAB9AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL5508193 0.79 CHRNA7 (0.43) NPC1ALDH1A1POLBRAB9AMAPT
SCHEMBL5509094 0.79 RAB9A (0.42) NPC1ALDH1A1POLBRAB9AMEN1
SCHEMBL5505983 0.77 MAPT (0.58) NPC1ALDH1A1POLBRAB9AMEN1
SCHEMBL5507406 0.75 MAPT (0.51) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5511181 0.74 NPC1 (0.44) NPC1ALDH1A1POLBRAB9AKMT2A
SCHEMBL5508873 0.73 NPC1 (0.43) NPC1ALDH1A1POLBRAB9AKMT2A
SCHEMBL5508874 0.72 SLC16A3 (0.52) NPC1ALDH1A1POLBRAB9AMEN1

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 NPC1 245/4885ALDH1A1 934/4885POLB 4285/4885

“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.