SCHEMBL6209652

SCHEMBL6209652

Cc1oc2c(c1[C]=O)CCCC2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 3/20 0.35
MAOA P21397 3/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HSD17B10 Q99714 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAOB P27338 1/20 0.30
ALDH1A2 O94788 1/20 0.30
ALDH2 P05091 1/20 0.30
ALDH1B1 P30837 1/20 0.30

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
SCHEMBL8264475 0.70 TSHR (0.39) ALDH1A1SMN1; SMN2TSHRMAOAMAPK1
SCHEMBL14620303 0.67 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2TSHRMAOAMAPK1
SCHEMBL6209655 0.67 MAOA (0.38) ALDH1A1SMN1; SMN2TSHRMAOAMAPK1
SCHEMBL30060372 0.65 TSHR (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HTT
SCHEMBL21096156 0.60 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMAOAMAPK1
SCHEMBL29078346 0.60 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMAOAMAPK1
SCHEMBL21087040 0.60 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMAOAMAPK1
SCHEMBL17861313 0.60 MAOA (0.59) ALDH1A1SMN1; SMN2TSHRMAOAMAPK1
SCHEMBL17895743 0.58 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRMAOAMAPK1
SCHEMBL13931592 0.58 CYP1A2 (0.37) ALDH1A1SMN1; SMN2TSHRMAOAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors ASTRAZENECA AB (SE) 2005-11-17 US disclosed
EP-1556349-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS Astrazeneca AB (SE) 2005-07-27 EP disclosed
WO-2004033427-A1 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES AND THEIR USE AS 11-BETAHSD1 INHIBITORS ASTRAZENECA AB (SE) 2004-04-22 WO 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-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 ALDH1A1 14/4885SMN1; SMN2 3573/4885TSHR 3288/4885

“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.