SCHEMBL5503763

SCHEMBL5503763

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
FLT3 P36888 3/20 0.42
MAPT P10636 4/20 0.42
HSD11B1 P28845 1/20 0.41
CA2 P00918 1/20 0.40
LMNA P02545 4/20 0.38
POLB P06746 2/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
P2RX7 Q99572 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
Hydrochloric Acid SCHEMBL5508193 0.99 CHRNA7 (0.43) CHRNA7FLT3MAPTHSD11B1CA2
SCHEMBL5509094 0.85 RAB9A (0.42) FLT3MAPTLMNAPOLBHTT
SCHEMBL8267979 0.84 CHRNA7 (0.41) CHRNA7FLT3MAPTHSD11B1CA2
SCHEMBL5505983 0.83 MAPT (0.58) FLT3MAPTLMNAPOLBHTT
SCHEMBL5510096 0.83 CYP2D6 (0.49) MAPTCA2ALDH1A1GAAP2RX7
SCHEMBL5511181 0.80 NPC1 (0.44) FLT3MAPTLMNAPOLBHTT
SCHEMBL5504965 0.80 NPC1 (0.47) MAPTLMNAPOLBHTTNPSR1
SCHEMBL5507406 0.79 MAPT (0.51) MAPTLMNAPOLBHTTNPSR1
SCHEMBL5508873 0.79 NPC1 (0.43) MAPTHSD11B1LMNAPOLBHTT
SCHEMBL5508874 0.78 SLC16A3 (0.52) MAPTLMNAPOLBHTTNPSR1

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 CHRNA7 20/4885FLT3 3256/4885MAPT 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.