SCHEMBL829973

SCHEMBL829973

CCOC(=O)c1ccc(N(CC)c2cc3c4c(c2)CCCCC4CCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CYP19A1 P11511 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 5/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
STAT3 P40763 1/20 0.39
FDFT1 P37268 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ESR1 P03372 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 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
SCHEMBL829656 0.97 CYP19A1 (0.44) RAB9ANPC1CYP19A1DRD2DRD3
SCHEMBL830039 0.90 DRD2 (0.41) RAB9ANPC1CYP19A1DRD2DRD3
SCHEMBL829627 0.88 RAB9A (0.42) RAB9ANPC1CYP19A1DRD2DRD3
SCHEMBL830495 0.86 RXRB (0.47) RAB9ANPC1DRD3ALDH1A1POLB
SCHEMBL829859 0.82 RXRA (0.48) RAB9ANPC1DRD3MAPTALDH1A1
SCHEMBL830447 0.80 RXRA (0.41) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL829663 0.80 RAB9A (0.51) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL829840 0.76 RAB9A (0.50) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL829710 0.74 DRD2 (0.38) RAB9ANPC1CYP19A1DRD2DRD3
SCHEMBL829596 0.74 RXRB (0.44) RAB9ANPC1ALDH1A1

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 RAB9A 1729/4885NPC1 904/4885CYP19A1 163/4885

“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.