SCHEMBL830902

SCHEMBL830902

O=C1CCC2CCCc3cccc1c32

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3B O95264 1/20 0.48
ADRA2A P08913 1/20 0.48
KCNE1 P15382 1/20 0.48
ADRA2C P18825 1/20 0.48
CHRM3 P20309 1/20 0.48
SLC6A4 P31645 1/20 0.48
ADRA1A P35348 1/20 0.48
HRH1 P35367 1/20 0.48
DRD3 P35462 1/20 0.48
CHRNA4 P43681 1/20 0.48
HTR3A P46098 1/20 0.48
KCNQ1 P51787 1/20 0.48
KCNH2 Q12809 1/20 0.48
SCN5A Q14524 1/20 0.48
CYP2A6 P11509 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 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
SCHEMBL7013965 1.00 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL829382 0.92 HTR3B (0.50) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL3588169 0.91 CYP2A6 (0.42) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL3586036 0.86 HTR3B (0.48) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL11524815 0.81 HTR3B (0.47) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL718791 0.79 TSHR (0.40)
SCHEMBL30739530 0.79 TSHR (0.40)
SCHEMBL829452 0.79 TSHR (0.43) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL6854090 0.76 PARP1 (0.56) HTR3BADRA2AKCNE1ADRA2CCHRM3
SCHEMBL7878541 0.76 HPGD (0.51) HTR3BADRA2AKCNE1ADRA2CCHRM3

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 21 patents — showing the first 20. 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
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-8067603-B2 Opiod receptor-like receptors (ORL1); for treatment of chronic pain conditions, central nervous system disorders such as anxiety and stress disorders, depression, epilepsy, stroke, Alzheimer's disease, eating disorders, and drug abuse SOLVAY PHARMACEUTICALS B.V. (NL) 2011-11-29 US disclosed
US-8067603-B2 Opiod receptor-like receptors (ORL1); for treatment of chronic pain conditions, central nervous system disorders such as anxiety and stress disorders, depression, epilepsy, stroke, Alzheimer's disease, eating disorders, and drug abuse SOLVAY PHARMACEUTICALS B.V. (NL) 2011-11-29 US disclosed
US-8067603-B2 Opiod receptor-like receptors (ORL1); for treatment of chronic pain conditions, central nervous system disorders such as anxiety and stress disorders, depression, epilepsy, stroke, Alzheimer's disease, eating disorders, and drug abuse SOLVAY PHARMACEUTICALS B.V. (NL) 2011-11-29 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
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
US-20050070528-A1 Benzimidazolone and quinazolinone derivatives as agonists on human ORL1 receptors SOLVAY PHARMACEUTICALS B.V. 2005-03-31 US disclosed
WO-2005028466-A1 BENZIMIDAZOLONE AND QUINAZOLINONE DERIVATIVES AS AGONISTS ON HUMAN ORL1 RECEPTORS SOLVAY PHARMACEUTICALS B.V. (NL) 2005-03-31 WO disclosed
US-6642247-B2 Treting anxiety, stress, depression, trauma, Alzheimer's mediated memory loss, epilepsy, arterial blood pressure disorders, obesity, acute pain, chronic pain, Na+ excretion, control of water balance, and symptoms associated with drug HOFFMAN-LA ROCHE INC. 2003-11-04 US disclosed
US-20030176701-A1 DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-09-18 US disclosed
EP-0963985-B1 Di-or triaza-spiro(4,5)decane derivatives HOFFMANN LA ROCHE (CH) 2003-03-12 EP disclosed
EP-0963985-A2 Di-or triaza-spiro(4,5)decane derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP disclosed
US-4564698-A Biologically-active tricyclic amines AKZO N.V. (NL) 1986-01-14 US disclosed
EP-0041293-B1 BIOLOGICALLY-ACTIVE TRICYCLIC AMINES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AKZO N.V. (NL) 1984-03-14 EP disclosed
WO-1981003490-A1 BIOLOGICALLY-ACTIVE TRICYCLIC AMINES,METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AKZO NV (NL) 1981-12-10 WO disclosed
EP-0041293-A1 Biologically-active tricyclic amines, methods for their preparation and pharmaceutical compositions containing same AKZO N.V. (NL) 1981-12-09 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 (4 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-20030176701-A1 DI-OR TRIAZA-SPIRO [4,5] DECANE DERIVATIVES NPY4R, NPY1R, OXER1 HTR3B 624/4885ADRA2A 49/4885KCNE1 774/4885
US-20050070528-A1 Benzimidazolone and quinazolinone derivatives as agonists on human ORL1 receptors OPRL1, ORMDL3, OGFRL1 HTR3B 553/4885ADRA2A 254/4885KCNE1 1086/4885
US-20110213157-A1 TRICYCLIC AMIDE COMPOUND RXRA, RXRB, RXRG HTR3B 924/4885ADRA2A 539/4885KCNE1 2853/4885
US-20110288299-A1 TRICYCLIC AMINE COMPOUND RXRA, RXRB, NR2C2 HTR3B 250/4885ADRA2A 130/4885KCNE1 2479/4885

“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.