SCHEMBL13308751

SCHEMBL13308751

CC1=CCCC(N2CCN(C)CC2)=C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
GPR35 Q9HC97 1/20 0.36
HRH4 Q9H3N8 2/20 0.35
ADRA2C P18825 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
GFER P55789 1/20 0.33
PTK2B Q14289 1/20 0.33
ESR2 Q92731 1/20 0.33
DRD2 P14416 3/20 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
SCHEMBL23709489 0.77 ALDH1A1 (0.34) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL14507095 0.69 ALDH1A1 (0.38) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL15432005 0.68 MAPT (0.61) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL18071053 0.68 ALDH1A1 (0.36) ALDH1A1MAPTGAAKMT2AHRH4
SCHEMBL29980540 0.67 ADRA2C (0.34) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL29744932 0.64 DRD2 (0.36) ALDH1A1MAPTGAAKMT2AHRH4
SCHEMBL18639230 0.64 ADRA2C (0.32) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL13308753 0.64 ADRA2C (0.35) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL12785415 0.63 ACHE (0.47) HRH4
SCHEMBL1405340 0.63 MAPT (0.35) ALDH1A1MAPT

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-20100152407-A1 NOVEL COMPOUNDS LOCTITE (R&D) LIMITED (IE) 2010-06-17 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-20100152407-A1 NOVEL COMPOUNDS KDM5B, KDM5C, KDM7A ALDH1A1 241/4885MAPT 2836/4885GAA 698/4885

“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.