SCHEMBL16742946

SCHEMBL16742946

Cc1ncc(OCC(=O)O)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL16742593 0.75 KDM4E (0.51) KDM4EL3MBTL1POLBSMN1; SMN2GLA
SCHEMBL16742632 0.74 HTT (0.38) KDM4EL3MBTL1SMN1; SMN2GLATDP1
SCHEMBL22711544 0.73 ALOX15 (0.52) KDM4ESMN1; SMN2TDP1ALDH1A1HPGD
SCHEMBL16742634 0.73 CTSS (0.34) HCRTR1HCRTR2
SCHEMBL29234047 0.73 HCRTR1 (0.33) KDM4EL3MBTL1HCRTR1HCRTR2
SCHEMBL22666162 0.72 FFAR4 (0.43) HCRTR1HCRTR2
SCHEMBL28803632 0.72 LMNA (0.42) L3MBTL1TDP1HCRTR1HCRTR2MEN1
SCHEMBL7386764 0.71 KDM4E (0.51) KDM4EL3MBTL1POLBSMN1; SMN2GLA
SCHEMBL11254377 0.71 PLAU (0.43) KDM4EL3MBTL1POLBSMN1; SMN2GLA
SCHEMBL2618741 0.70 CYP2C9 (0.39) KDM4EL3MBTL1SMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071578-B1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2018-01-10 EP disclosed
US-9765092-B2 Tricyclic piperidine compounds ACTELION PHARMACEUTICALS LTD (CH) 2017-09-19 US disclosed
EP-3071578-A1 TRICYCLIC PIPERIDINE COMPOUNDS Actelion Pharmaceuticals Ltd (CH) 2016-09-28 EP disclosed
US-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2016-09-22 US disclosed
WO-2015075023-A1 TRICYCLIC PIPERIDINE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2015-05-28 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-20160272655-A1 TRICYCLIC PIPERIDINE COMPOUNDS TPH1, HTR1B, HTR1A KDM4E 1327/4885L3MBTL1 4252/4885POLB 353/4885

“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.