SCHEMBL2277459

SCHEMBL2277459

Cc1nsc(N2CCC3(CC2)OCCO3)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 4/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
DPP4 P27487 3/20 0.36
MAPK1 P28482 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HCRTR1 O43613 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
KMT2A Q03164 1/20 0.35
LGMN Q99538 1/20 0.34
GAA P10253 2/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL13817550 0.72 DPP4 (0.43) ALDH1A1SMN1; SMN2NPC1RAB9ADPP4
SCHEMBL14182486 0.72 DPP4 (0.44) ALDH1A1NPC1RAB9ADPP4HPGD
SCHEMBL2273553 0.71 DPP4 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ADPP4
Hydrochloric Acid SCHEMBL2275641 0.70 DPP4 (0.40) ALDH1A1SMN1; SMN2NPC1RAB9ADPP4
SCHEMBL1713675 0.69 DPP4 (0.41) ALDH1A1SMN1; SMN2DPP4ABCB1ABCG2
SCHEMBL13035720 0.69 SMN1; SMN2 (0.46) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL15720353 0.68 KMT2A (0.40) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL9948445 0.67 KMT2A (0.50) ALDH1A1SMN1; SMN2MAPTLMNAMAPK1
SCHEMBL7014268 0.67 HSD17B10 (0.45) ALDH1A1SMN1; SMN2MAPTLMNANPC1
SCHEMBL15349313 0.64 OGA (0.43) ALDH1A1SMN1; SMN2MAPTLMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536710-B1 PIPERIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2016-07-13 EP disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
US-8486967-B2 Heteroaryl substituted piperidines HOFFMANN-LA ROCHE INC. (US) 2013-07-16 US disclosed
EP-2536710-A2 PIPERIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2012-12-26 EP disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
WO-2011101304-A2 PIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
US-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES HOFFMANN-LA ROCHE, INC. 2011-08-18 US disclosed
WO-2011083955-A2 METHOD FOR MANUFACTURING CRYSTALLINE FORM (I) OF CLOPIDOGREL HYDROGEN SULPHATE DONG WHA PHARM. CO., LTD. (KR) 2011-07-14 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-20110201605-A1 HETEROARYL SUBSTITUTED PIPERIDINES APP, HPGDS, PSEN1 ALDH1A1 1444/4885SMN1; SMN2 2270/4885MAPT 582/4885

“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.