SCHEMBL1769996

SCHEMBL1769996

O=C(C=Cc1cccnc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.56
KDM4E B2RXH2 2/20 0.56
NPC1 O15118 1/20 0.56
JUN P05412 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
P2RX7 Q99572 1/20 0.50
PFKFB3 Q16875 1/20 0.50
CYP17A1 P05093 5/20 0.49
CYP19A1 P11511 5/20 0.49
HSD11B1 P28845 2/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL8077622 1.00 MAPT (0.56) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL13688924 0.85 MAPT (0.52) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL8213285 0.84 MAPT (0.45) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL6092331 0.82 JUN (0.51) MAPTKDM4EJUNNFKB1CYP17A1
SCHEMBL8068014 0.82 JUN (0.51) MAPTKDM4EJUNNFKB1CYP17A1
SCHEMBL6091145 0.82 GABBR2 (0.53) MAPTKDM4EP2RX7KMT2AMEN1
SCHEMBL12040547 0.82 GABBR2 (0.53) MAPTKDM4EP2RX7KMT2AMEN1
SCHEMBL29514819 0.77 RAB9A (0.73) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL485944 0.77 RAB9A (0.73) MAPTRAB9AKDM4ENPC1JUN
SCHEMBL485947 0.77 RAB9A (0.73) MAPTRAB9AKDM4ENPC1JUN

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US claimed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 EP disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 WO disclosed
WO-2008035049-A1 ADAMANTANYL-(CYCLOPROPYL)-KETONES AS METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2008-03-27 WO disclosed
US-20060074083-A1 Cyclic and acyclic propenones for treating CNS disorders MERZ PHARMA GMBH & CO. KGAA (DE) 2006-04-06 US disclosed
EP-0640072-B1 Derivatives of pyridine as hydroxylase and lyase inhibitors BTG INT LTD (GB) 2000-08-23 EP disclosed
US-5595995-A ANTICARCINOGENIC AGENTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1997-01-21 US disclosed
EP-0640072-A1 SUBSTITUTED PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL USE BTG INTERNATIONAL LIMITED (GB) 1995-03-01 EP disclosed
WO-1993023375-A1 SUBSTITUTED PYRIDINES, THEIR PREPARATION AND PHARMACEUTICAL USE BRITISH TECHNOLOGY GROUP LIMITED (GB) 1993-11-25 WO 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 (2 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 MAPT 87/4885RAB9A 3821/4885KDM4E 3234/4885
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 MAPT 4681/4885RAB9A 3505/4885KDM4E 1739/4885

“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.