SCHEMBL4901767

SCHEMBL4901767

NCC1CCc2[nH]c3ccc(F)c(Cl)c3c2C1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.39
VPS4B O75351 1/20 0.35
VCP P55072 1/20 0.35
SLC6A4 P31645 6/20 0.35
HTR1A P08908 3/20 0.35
CDK2 P24941 1/20 0.34
FLT3 P36888 1/20 0.34
CCNA1 P78396 1/20 0.34
NR2E1 Q9Y466 1/20 0.33
SIRT1 Q96EB6 1/20 0.32
DRD2 P14416 5/20 0.32
HTR2A P28223 3/20 0.32
HTR2B P41595 3/20 0.32
HTR1B P28222 2/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.30

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
SCHEMBL4902826 0.88 AR (0.39) ARVPS4BVCPHTR1ANR2E1
SCHEMBL4909034 0.79 SIRT1 (0.55) ARSLC6A4HTR1ASIRT1HTR1B
SCHEMBL4902847 0.76 SIRT1 (0.52) VPS4BVCPHTR1ANR2E1SIRT1
SCHEMBL4895997 0.76 SIRT1 (0.44) ARSLC6A4HTR1ACDK2FLT3
SCHEMBL14040261 0.75 AR (0.42) ARVPS4BVCPNR2E1SIRT1
SCHEMBL4904688 0.74 VPS4B (0.39) ARVPS4BVCPSLC6A4HTR1A
SCHEMBL4900711 0.74 VPS4B (0.58) VPS4BVCPSLC6A4HTR1ADRD2
SCHEMBL4900652 0.74 VPS4B (0.58) VPS4BVCPSLC6A4HTR1ADRD2
SCHEMBL5026464 0.73 AR (0.52) ARHTR2AHTR2BHTR2C
SCHEMBL14040246 0.72 AR (0.35) ARVPS4BVCPHTR1ACDK2

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 AR 933/4885VPS4B 4111/4885VCP 4032/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C AR 933/4885VPS4B 4111/4885VCP 4032/4885

“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.