SCHEMBL829496

SCHEMBL829496

O=CCC1CCCCc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.43
IDO1 P14902 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
CYP19A1 P11511 1/20 0.42
TBXAS1 P24557 1/20 0.42
BLM P54132 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5467690 0.95 IDO1 (0.47) IDO1SIGMAR1CYP19A1TBXAS1BLM
SCHEMBL833049 0.88 HTR6 (0.50) HTR6IDO1
SCHEMBL3246802 0.79 FFAR1 (0.51) BLMTSHR
SCHEMBL5613177 0.78 HTR1A (0.49) IDO1SIGMAR1CYP19A1TBXAS1
SCHEMBL428148 0.77 HTR2A (0.53) HTR6IDO1SIGMAR1
SCHEMBL15320085 0.77 HTR6 (0.46) HTR6IDO1SIGMAR1CYP19A1TBXAS1
SCHEMBL11574737 0.77 IDO1 (0.47) HTR6IDO1SIGMAR1CYP19A1TBXAS1
Ethoxycarbonyl Group SCHEMBL28770651 0.76 HTR6 (0.40) HTR6IDO1SIGMAR1
SCHEMBL1566770 0.75 CYP19A1 (0.49) IDO1SIGMAR1CYP19A1TBXAS1BLM
SCHEMBL11948317 0.75 SIGMAR1 (0.47) SIGMAR1CYP19A1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP disclosed
EP-2189443-B1 TRICYCLIC AMIDE COMPOUND RES FOUND ITSUU LAB (JP) 2013-10-23 EP disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 US disclosed
US-8232300-B2 Tricyclic amide compound RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-07-31 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-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-09-01 US disclosed
EP-2189440-A1 TRICYCLIC AMINE COMPOUND Research Foundation Itsuu Laboratory (JP) 2010-05-26 EP disclosed
EP-2189443-A1 TRICYCLIC AMIDE 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 (2 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-20110213157-A1 TRICYCLIC AMIDE COMPOUND RXRA, RXRB, RXRG HTR6 815/4885IDO1 2555/4885SIGMAR1 116/4885
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 HTR6 240/4885IDO1 2197/4885SIGMAR1 223/4885

“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.