SCHEMBL829656

SCHEMBL829656

CCOC(=O)c1ccc(N(CC)c2cc3c4c(c2)CCCC4CCC3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
RAB9A P51151 7/20 0.42
MAPT P10636 6/20 0.42
NPC1 O15118 6/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 3/20 0.40
KDM4E B2RXH2 1/20 0.40
FDFT1 P37268 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ESR1 P03372 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
ESR2 Q92731 1/20 0.40
CA14 Q9ULX7 1/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
LMNA P02545 2/20 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
SCHEMBL829973 0.97 RAB9A (0.41) CYP19A1RAB9AMAPTNPC1ALDH1A1
SCHEMBL830039 0.87 DRD2 (0.41) CYP19A1RAB9AMAPTNPC1ALDH1A1
SCHEMBL829859 0.86 RXRA (0.48) RAB9AMAPTNPC1ALDH1A1KDM4E
SCHEMBL829627 0.84 RAB9A (0.42) CYP19A1RAB9AMAPTNPC1ALDH1A1
SCHEMBL830495 0.82 RXRB (0.47) RAB9ANPC1ALDH1A1DRD3NPSR1
SCHEMBL830447 0.81 RXRA (0.41) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL829840 0.79 RAB9A (0.50) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL829663 0.76 RAB9A (0.51) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2
SCHEMBL829710 0.75 DRD2 (0.38) CYP19A1RAB9AMAPTNPC1ALDH1A1
SCHEMBL829809 0.74 ALDH1A1 (0.40) RAB9AMAPTNPC1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-8143260-B2 Tricyclic amine compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-03-27 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-11-24 US disclosed
EP-2189440-A1 TRICYCLIC AMINE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP 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-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 CYP19A1 163/4885RAB9A 1729/4885MAPT 3403/4885

“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.