SCHEMBL5509094

SCHEMBL5509094

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
PIM1 P11309 1/20 0.42
MAPT P10636 3/20 0.41
P2RX4 Q99571 1/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.38
FLT3 P36888 1/20 0.38
P2RX7 Q99572 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CNR2 P34972 1/20 0.36
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL5507387 0.89 PIM1 (0.56) RAB9ANPC1PIM1MAPTP2RX4
SCHEMBL5503763 0.85 CHRNA7 (0.44) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL8266575 0.84 RAB9A (0.40) RAB9ANPC1PIM1MAPTP2RX4
Hydrochloric Acid SCHEMBL5508193 0.84 CHRNA7 (0.43) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL4709083 0.83 MEN1 (0.46) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL5505983 0.82 MAPT (0.58) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL5510096 0.82 CYP2D6 (0.49) RAB9AMAPTALDH1A1KDM4EP2RX7
SCHEMBL5504965 0.79 NPC1 (0.47) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL5511181 0.79 NPC1 (0.44) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL5508873 0.78 NPC1 (0.43) RAB9ANPC1MAPTALDH1A1LMNA

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 RAB9A 3821/4885NPC1 245/4885PIM1 2958/4885

“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.