SCHEMBL4898192

SCHEMBL4898192

NC1CCc2c([nH]c3ccc(F)cc23)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.52
HTR1D P28221 3/20 0.52
NR2E1 Q9Y466 1/20 0.50
SIGMAR1 Q99720 1/20 0.48
HTR6 P50406 1/20 0.47
SIRT1 Q96EB6 2/20 0.47
BAZ2B Q9UIF8 1/20 0.44
DRD2 P14416 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
VPS4B O75351 1/20 0.43
VCP P55072 1/20 0.43
RB1 P06400 1/20 0.43

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
SCHEMBL833788 0.90 HTR1B (0.65) HTR1BHTR1DNR2E1SIGMAR1HTR6
SCHEMBL833781 0.90 HTR1B (0.65) HTR1BHTR1DNR2E1SIGMAR1HTR6
SCHEMBL833780 0.90 HTR1B (0.65) HTR1BHTR1DNR2E1SIGMAR1HTR6
SCHEMBL5792072 0.81 SIGMAR1 (0.45) SIGMAR1SIRT1BAZ2BDRD2SLC6A4
SCHEMBL5793567 0.80 DRD2 (0.50) SIGMAR1SIRT1BAZ2BDRD2SLC6A4
SCHEMBL11681778 0.79 SIRT1 (0.57) SIGMAR1SIRT1BAZ2BDRD2SLC6A4
SCHEMBL4905673 0.78 NR2E1 (0.79) HTR1BHTR1DNR2E1HTR6SIRT1
SCHEMBL29992005 0.78 NR2E1 (0.79) HTR1BHTR1DNR2E1HTR6SIRT1
SCHEMBL6533665 0.78 NR2E1 (0.79) HTR1BHTR1DNR2E1HTR6SIRT1
SCHEMBL29991655 0.78 NR2E1 (0.79) HTR1BHTR1DNR2E1HTR6SIRT1

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 5 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 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

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-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C HTR1B 19/4885HTR1D 18/4885NR2E1 775/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C HTR1B 19/4885HTR1D 18/4885NR2E1 775/4885

“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.