SCHEMBL4895828

SCHEMBL4895828

NCC1CCc2[nH]c3cc(Cl)c(Cl)cc3c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 6/20 0.39
HTR1D P28221 4/20 0.39
NR2E1 Q9Y466 1/20 0.38
MCHR1 Q99705 1/20 0.38
VPS4B O75351 1/20 0.37
VCP P55072 1/20 0.37
AR P10275 4/20 0.37
KMT2A Q03164 2/20 0.35
HTR1A P08908 3/20 0.35
HTR6 P50406 1/20 0.35
SIRT1 Q96EB6 1/20 0.34
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33

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
SCHEMBL4904688 0.89 VPS4B (0.39) HTR1BHTR1DNR2E1VPS4BVCP
SCHEMBL4902847 0.83 SIRT1 (0.52) HTR1BHTR1DNR2E1VPS4BVCP
SCHEMBL4900652 0.78 VPS4B (0.58) HTR1BHTR1DVPS4BVCPHTR1A
SCHEMBL4900711 0.78 VPS4B (0.58) HTR1BHTR1DVPS4BVCPHTR1A
SCHEMBL10748232 0.77 NR2E1 (0.66) NR2E1DRD2DRD4
SCHEMBL20602005 0.77 HTR1B (0.40) HTR1BHTR1DNR2E1MCHR1AR
SCHEMBL4908357 0.76 SIRT1 (0.60) HTR1BHTR1DARKMT2AHTR1A
SCHEMBL4902826 0.76 AR (0.39) HTR1BHTR1DNR2E1VPS4BVCP
SCHEMBL14041492 0.76 VPS4B (0.41) HTR1BHTR1DVPS4BVCPAR
SCHEMBL4902920 0.73 SIRT1 (0.47) HTR1BHTR1DARKMT2AHTR1A

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 9 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

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.