SCHEMBL4895642

SCHEMBL4895642

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
BAZ2B Q9UIF8 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HTR1A P08908 4/20 0.47
SLC6A4 P31645 1/20 0.47
VPS4B O75351 1/20 0.46
VCP P55072 1/20 0.46
HTR1F P30939 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTR1B P28222 2/20 0.46
LMNA P02545 2/20 0.45
MAPT P10636 2/20 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
SCHEMBL7973723 0.91 KMT2A (0.58) KMT2AMEN1NPC1RAB9AHTR1A
SCHEMBL14880207 0.87 KMT2A (0.54) KMT2AMEN1BAZ2BHTR1ASLC6A4
SCHEMBL5808503 0.87 KMT2A (0.61) KMT2AMEN1BAZ2BNPC1RAB9A
SCHEMBL22134580 0.87 KMT2A (0.51) KMT2AMEN1NPC1RAB9AHTR1A
SCHEMBL20601994 0.87 SIRT1 (0.58) KMT2AMEN1BAZ2BNPC1RAB9A
SCHEMBL4728400 0.86 KMT2A (0.65) KMT2AMEN1NPC1RAB9AHTR1A
SCHEMBL4726479 0.86 KMT2A (0.67) KMT2AMEN1NPC1RAB9AHTR1A
SCHEMBL541423 0.86 HTR1D (0.60) KMT2AMEN1BAZ2BNPC1RAB9A
SCHEMBL11836055 0.85 ACHE (0.47) KMT2AMEN1BAZ2BHTR1ASLC6A4
SCHEMBL4899830 0.84 KMT2A (0.47) KMT2AMEN1NPC1RAB9AKDM4E

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 13 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-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-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-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
WO-2001007409-A1 CARBAZOLE DERIVATIVES AND THEIR USE AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS ASTRAZENECA UK LIMITED (GB) 2001-02-01 WO 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 (3 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 KMT2A 1963/4885MEN1 2139/4885BAZ2B 4795/4885
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C KMT2A 3332/4885MEN1 4451/4885BAZ2B 1315/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C KMT2A 3332/4885MEN1 4451/4885BAZ2B 1315/4885

“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.