SCHEMBL3600447

SCHEMBL3600447

CCOC(=O)[C@H]1CCC(c2ccccc2)N1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
KCNH2 Q12809 5/20 0.50
SCN3A Q9NY46 2/20 0.50
TSHR P16473 2/20 0.50
PKM P14618 1/20 0.50
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
TP53 P04637 1/20 0.45
DHFR P00374 1/20 0.45
DPP4 P27487 1/20 0.44

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
SCHEMBL3600450 1.00 ALDH1A1 (0.51) ALDH1A1MAPTKCNH2SCN3ATSHR
SCHEMBL28521573 1.00 ALDH1A1 (0.51) ALDH1A1MAPTKCNH2SCN3ATSHR
SCHEMBL21094112 0.86 KCNH2 (0.46) ALDH1A1MAPTKCNH2TSHRPKM
SCHEMBL2346176 0.86 MEN1 (0.47) ALDH1A1MAPTKCNH2SCN3ATSHR
SCHEMBL2350627 0.86 KCNH2 (0.56) ALDH1A1KCNH2SCN3AMEN1CYP1A2
SCHEMBL3585037 0.86 KCNH2 (0.56) ALDH1A1KCNH2SCN3AMEN1CYP1A2
SCHEMBL4637526 0.86 KCNH2 (0.56) ALDH1A1KCNH2SCN3AMEN1CYP1A2
SCHEMBL3585032 0.86 KCNH2 (0.56) ALDH1A1KCNH2SCN3AMEN1CYP1A2
SCHEMBL4637528 0.86 KCNH2 (0.56) ALDH1A1KCNH2SCN3AMEN1CYP1A2
SCHEMBL13311587 0.85 KCNH2 (0.71) MAPTKCNH2SCN3ACYP1A2CYP2C19

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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I INPHARMATICA LIMITED (GB) 2010-03-11 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-20100063065-A1 THIOPHENE DERIVATIVES AS PPAR AGONISTS I PPARG, PPARD, PPARA ALDH1A1 1049/4885MAPT 4061/4885KCNH2 2465/4885

“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.