SCHEMBL829809

SCHEMBL829809

COC(=O)c1ccc(N(C)c2cc3c4c(c2)CCCC4CCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
NOTUM Q6P988 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
TSHR P16473 3/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38

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
SCHEMBL830317 0.86 RXRA (0.48) ALDH1A1KDM4ENPC1KMT2AMEN1
SCHEMBL829627 0.83 RAB9A (0.42) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL830053 0.82 RXRA (0.50) ALDH1A1KDM4ENPC1KMT2AMEN1
SCHEMBL829378 0.79 NOTUM (0.39) ALDH1A1KDM4ENOTUMSMN1; SMN2MAPT
SCHEMBL2396701 0.79 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL2396155 0.78 PTPN1 (0.51) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL6011752 0.76 NOTUM (0.61) ALDH1A1KDM4ENOTUMSMN1; SMN2MAPT
SCHEMBL2393106 0.75 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A
SCHEMBL2393644 0.74 NPC1 (0.50) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL829656 0.74 CYP19A1 (0.44) ALDH1A1KDM4ESMN1; SMN2MAPTRAB9A

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 ALDH1A1 727/4885KDM4E 2435/4885NOTUM 1649/4885

“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.