SCHEMBL5507387

SCHEMBL5507387

O=C(c1cc2cc(Br)ccc2o1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.56
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 3/20 0.44
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GPR35 Q9HC97 1/20 0.43
KMT2A Q03164 1/20 0.42
BCAT1 P54687 1/20 0.42
MAOA P21397 1/20 0.42
CYP2A6 P11509 1/20 0.40
P2RX4 Q99571 1/20 0.40
HPGD P15428 1/20 0.40
CDK2 P24941 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
SCHEMBL5509094 0.89 RAB9A (0.42) PIM1RAB9ANPC1ALDH1A1MAPT
SCHEMBL8267572 0.84 RAB9A (0.47) PIM1RAB9ANPC1ALDH1A1MAPT
SCHEMBL4708974 0.83 GRIN1 (0.59) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5505983 0.82 MAPT (0.58) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL5505992 0.82 CASP1 (0.53) ALDH1A1MAPTKMT2ABCAT1HPGD
SCHEMBL5508176 0.80 POLB (0.49) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL5509256 0.77 P2RX7 (0.43) ALDH1A1MAPTKMT2A
SCHEMBL5503763 0.77 CHRNA7 (0.44) RAB9ANPC1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL5508193 0.76 CHRNA7 (0.43) RAB9ANPC1ALDH1A1MAPTLMNA
SCHEMBL3619989 0.75 PIM1 (0.72) PIM1RAB9ANPC1ALDH1A1MAPT

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

“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.