SCHEMBL4895910

SCHEMBL4895910

O=C(O)C1CCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 3/20 0.52
KMT2A Q03164 2/20 0.52
MAPKAPK2 P49137 1/20 0.52
VPS4B O75351 1/20 0.52
VCP P55072 1/20 0.52
BAZ2B Q9UIF8 1/20 0.51
HTR1F P30939 1/20 0.49
HTR1A P08908 4/20 0.48
SIRT1 Q96EB6 2/20 0.48
HTR1D P28221 1/20 0.48
SLC6A4 P31645 1/20 0.47
MEN1 O00255 1/20 0.46
BRD3 Q15059 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
HTR1E P28566 1/20 0.45
HTR7 P34969 1/20 0.45
OPRM1 P35372 1/20 0.45
TMEM97 Q5BJF2 1/20 0.45

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
SCHEMBL4897652 1.00 HTR1B (0.52) HTR1BKMT2AMAPKAPK2VPS4BVCP
SCHEMBL4899304 1.00 HTR1B (0.52) HTR1BKMT2AMAPKAPK2VPS4BVCP
SCHEMBL11838932 0.90 HTR1F (0.48) HTR1BKMT2AMAPKAPK2VPS4BVCP
SCHEMBL4903633 0.90 SIRT1 (0.60) HTR1BKMT2AMAPKAPK2VPS4BVCP
SCHEMBL11681778 0.90 SIRT1 (0.57) KMT2AMAPKAPK2VPS4BVCPBAZ2B
SCHEMBL4899779 0.90 SIRT1 (0.60) HTR1BKMT2AMAPKAPK2VPS4BVCP
SCHEMBL14880207 0.85 KMT2A (0.54) HTR1BKMT2AVPS4BVCPBAZ2B
SCHEMBL4897542 0.84 SIRT1 (0.67) HTR1BKMT2AMAPKAPK2BAZ2BHTR1A
SCHEMBL11845531 0.84 SIRT1 (0.55) HTR1BKMT2ABAZ2BHTR1ASIRT1
SCHEMBL11844800 0.84 HTR1B (0.52) HTR1BKMT2AHTR1ASIRT1HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US claimed
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP claimed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US claimed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO claimed
US-7375127-B2 Tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) AE ZENTARIS GMBH (DE) 2008-05-20 US disclosed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US disclosed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO disclosed
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20060014818-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) MUSC FOUNDATION FOR RESEARCH DEVELOPMENT 2006-01-19 US disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 WO disclosed
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 US 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 HTR1B 20/4885KMT2A 1963/4885MAPKAPK2 1944/4885
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C HTR1B 19/4885KMT2A 3332/4885MAPKAPK2 2878/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C HTR1B 19/4885KMT2A 3332/4885MAPKAPK2 2878/4885
US-20060014818-A1 Novel tetrahydrocarbazole derivatives having improved biological action and improved solubility as ligands of G-protein coupled receptors (GPCRs) GPR88, GPR34, GPR35 HTR1B 477/4885KMT2A 4436/4885MAPKAPK2 2524/4885

“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.