SCHEMBL3102495

SCHEMBL3102495

Cc1oc(C(C)(C)C)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TSHR P16473 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ERN1 O75460 1/20 0.34
ALOX15 P16050 1/20 0.33
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL766908 0.73
SCHEMBL14100428 0.71 ERN1 (0.38) L3MBTL1TSHRLMNAGAASMN1; SMN2
SCHEMBL7327170 0.71 MEN1 (0.48) L3MBTL1KMT2AMEN1TSHRPKM
SCHEMBL9679316 0.71 ALDH1A1 (0.34) TSHRLMNAALDH1A1KDM4EERN1
SCHEMBL3095282 0.70
SCHEMBL15307457 0.70
SCHEMBL820796 0.69 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1TSHRLMNA
SCHEMBL7355993 0.68 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1TSHRLMNA
SCHEMBL8654694 0.68 ERN1 (0.35) KMT2AMEN1TSHRLMNASMN1; SMN2
SCHEMBL7406299 0.68 L3MBTL1 (0.48) L3MBTL1KMT2AMEN1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP disclosed
US-7511136-B2 Aminoindazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-31 US disclosed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed
CN-1723199-A 1,4-disubstituted piperidine derivatives and their use as 11-beta hsd1 inhibitors ASTRAZENECA AB (SE) 2006-01-18 CN disclosed
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 (2 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 L3MBTL1 3461/4885KMT2A 1395/4885MEN1 2970/4885
US-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR L3MBTL1 1084/4885KMT2A 2159/4885MEN1 233/4885

“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.