SCHEMBL4904007

SCHEMBL4904007

NCC1CCc2sc3ccccc3c2C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.40
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36

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
SCHEMBL5508306 1.00 PNMT (0.40) PNMTDRD2DRD1DRD4DRD5
SCHEMBL4904558 0.75 LIMK1 (0.40)
SCHEMBL4905208 0.72
SCHEMBL10748232 0.70 NR2E1 (0.66) DRD2DRD1DRD4DRD5DRD3
Ammonia Solution, Strong SCHEMBL15466738 0.69 DRD2 (0.50) PNMTDRD2DRD1DRD4DRD5
SCHEMBL4904164 0.68 PDK1 (0.46)
SCHEMBL450863 0.68 DRD2 (0.49) PNMTDRD2DRD1DRD4DRD5
SCHEMBL15595295 0.68 DRD2 (0.49) PNMTDRD2DRD1DRD4DRD5
SCHEMBL29767754 0.68 DRD2 (0.49) PNMTDRD2DRD1DRD4DRD5
SCHEMBL25424691 0.67 DRD2 (0.40) PNMTDRD2DRD1DRD4DRD5

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 claimed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US claimed
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 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

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 PNMT 66/4885DRD2 147/4885DRD1 224/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C PNMT 66/4885DRD2 147/4885DRD1 224/4885

“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.