SCHEMBL4351553

SCHEMBL4351553

COc1cccc(C2=NOC3(CCC(C=O)CC3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
TSHR P16473 2/20 0.40
MAPK10 P53779 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
RECQL P46063 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
GRK2 P25098 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL2211286 0.83 VCP (0.45) HTTALDH1A1HPGDTSHRMAPK10
SCHEMBL2208887 0.82 CHRNB4 (0.45) HTTALDH1A1HPGDTSHRMAPK10
SCHEMBL2208848 0.79 ALDH1A1 (0.48) HTTALDH1A1HPGDTSHRMAPK10
SCHEMBL178518 0.78 ALDH1A1 (0.51) HTTALDH1A1HPGDTSHRNPC1
SCHEMBL4618581 0.77 NPSR1 (0.43) HTTALDH1A1HPGDTSHRMAPK10
SCHEMBL15855842 0.77 NPC1 (0.51) HTTALDH1A1HPGDTSHRNPC1
SCHEMBL2210139 0.74 MAPK10 (0.47) HTTALDH1A1TSHRMAPK10NPC1
SCHEMBL5130690 0.74 LMNA (0.57) HTTALDH1A1HPGDTSHRMAPK10
SCHEMBL2208352 0.73 MAPK10 (0.47) ALDH1A1TSHRMAPK10NPC1RAB9A
SCHEMBL5012858 0.73 ALDH1A1 (0.55) ALDH1A1HPGDTSHRMAPK10NPC1

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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments GRUENENTHAL GMBH (DE) 2009-11-05 US claimed

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-20090275628-A1 Substituted Spiro-Compounds And The Use Thereof For Producing Medicaments REN, PKD1, PKD2 HTT 1703/4885ALDH1A1 218/4885HPGD 90/4885

“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.