SCHEMBL7126232

SCHEMBL7126232

CCc1cc(CC)c(C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 3/20 0.45
NOS2 P35228 3/20 0.45
NOS1 P29475 2/20 0.45
LNPEP Q9UIQ6 10/20 0.35
ALDH1A1 P00352 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32

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
SCHEMBL13216883 0.85 NOS3 (0.37) NOS3NOS2NOS1LNPEPCYP1A2
SCHEMBL7124872 0.81 NOS3 (0.46) NOS3NOS2NOS1ALDH1A1CYP1A2
SCHEMBL873263 0.81 NOS3 (0.43) NOS3NOS2NOS1GABRPGABRD
SCHEMBL10496086 0.79 NOS3 (0.47) NOS3NOS2NOS1ALDH1A1GABRP
SCHEMBL23742549 0.78 NOS3 (0.33) NOS3NOS2NOS1ALDH1A1
SCHEMBL20288204 0.76 NOS3 (0.35) NOS3NOS2NOS1ALDH1A1CYP1A2
SCHEMBL31651921 0.76 GRIN2D (0.38) NOS3NOS2NOS1ALDH1A1GABRP
SCHEMBL9124919 0.76 NOS3 (0.44) NOS3NOS2NOS1ALDH1A1GABRP
SCHEMBL18031196 0.76 NOS3 (0.70) NOS3NOS2NOS1GABRPGABRD
SCHEMBL13841384 0.76 NOS3 (0.44) NOS3NOS2NOS1ALDH1A1GABRP

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064989-A1 Inhibitors of cell proliferation, angiogenesis, fertility, and muscle contraction REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2003-04-03 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 (1 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-20030064989-A1 Inhibitors of cell proliferation, angiogenesis, fertility, and muscle contraction MYH10, MYLK, MKI67 NOS3 416/4885NOS2 1820/4885NOS1 1076/4885

“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.