SCHEMBL829782

SCHEMBL829782

CCOC(=O)c1cnc(Nc2cc3c4c(c2)CCCC4(C)CCC3)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 5/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
THRB P10828 1/20 0.40
MAPT P10636 5/20 0.40
NLRP3 Q96P20 1/20 0.39
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CDK4 P11802 2/20 0.38
CCND3 P30281 1/20 0.38
PDPK1 O15530 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HTR2B P41595 3/20 0.37
HTR1A P08908 2/20 0.37

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
SCHEMBL830054 0.84 HDAC6 (0.39) HDAC3HDAC1HDAC2HDAC6
SCHEMBL829649 0.83 RAB9A (0.48) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL829249 0.81 RAB9A (0.41) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL829027 0.80 RAB9A (0.41) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL5178238 0.73 RARA (0.48) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL5179272 0.72 HDAC3 (0.47) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL22235394 0.71 HDAC3 (0.62) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL27631847 0.71 SMN1; SMN2 (0.58) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL3697439 0.71 HDAC6 (0.57) RAB9ANPC1KDM4ESMN1; SMN2KMT2A
SCHEMBL8738722 0.70 HDAC3 (0.63) RAB9ANPC1KDM4ESMN1; SMN2KMT2A

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 5 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-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 904/4885KDM4E 2435/4885

“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.