SCHEMBL830039

SCHEMBL830039

CCOC(=O)c1ccc(N(CC2CC2)c2cc3c4c(c2)CCCCC4CCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
CYP19A1 P11511 2/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 4/20 0.38
PTGER4 P35408 1/20 0.38
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
FDFT1 P37268 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 3/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36

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 0.90 RAB9A (0.41) DRD2DRD3CYP19A1RAB9ANPC1
SCHEMBL829656 0.87 CYP19A1 (0.44) DRD2DRD3CYP19A1RAB9ANPC1
SCHEMBL829627 0.85 RAB9A (0.42) DRD2DRD3CYP19A1RAB9ANPC1
SCHEMBL829596 0.85 RXRB (0.44) RAB9ANPC1ALDH1A1LTC4S
SCHEMBL829710 0.84 DRD2 (0.38) DRD2DRD3CYP19A1RAB9ANPC1
SCHEMBL829663 0.77 RAB9A (0.51) RAB9ANPC1MAPTALDH1A1MAPK1
SCHEMBL830495 0.77 RXRB (0.47) DRD3RAB9ANPC1ALDH1A1POLB
SCHEMBL829840 0.73 RAB9A (0.50) RAB9ANPC1MAPTPTGER4ALDH1A1
SCHEMBL829859 0.73 RXRA (0.48) DRD3RAB9ANPC1MAPTALDH1A1
SCHEMBL829380 0.71 RXRA (0.52) ALDH1A1ALOX15SMN1; SMN2KDM4EL3MBTL1

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 DRD2 348/4885DRD3 379/4885CYP19A1 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.