SCHEMBL3543294

SCHEMBL3543294

Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.66
KMT2A Q03164 3/20 0.64
HSD11B1 P28845 5/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
TSHR P16473 2/20 0.61
USP2 O75604 1/20 0.61
NPSR1 Q6W5P4 1/20 0.59
LMNA P02545 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
GAA P10253 1/20 0.55

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
SCHEMBL3548566 0.83 KDM4E (0.73) KDM4EKMT2AHTTSMN1; SMN2TSHR
SCHEMBL6211216 0.81 KMT2A (0.67) KDM4EKMT2AHTTTSHRNPSR1
SCHEMBL3544581 0.79 KDM4E (1.00) KDM4EKMT2AHTTSMN1; SMN2TSHR
SCHEMBL3553134 0.79 SMN1; SMN2 (0.97) KDM4EKMT2AHTTSMN1; SMN2TSHR
SCHEMBL3539489 0.79 KMT2A (1.00) KDM4EKMT2AHTTSMN1; SMN2TSHR
SCHEMBL3553965 0.77 TSHR (1.00) KDM4EKMT2AHTTSMN1; SMN2TSHR
SCHEMBL3661239 0.76 KMT2A (0.68) KDM4EKMT2AHTTSMN1; SMN2TSHR
SCHEMBL4238481 0.76 KMT2A (0.68) KDM4EKMT2AHTTSMN1; SMN2TSHR
SCHEMBL1720014 0.76 HSD11B1 (1.00) KDM4EKMT2AHSD11B1SMN1; SMN2LMNA
SCHEMBL3546099 0.76 KMT2A (0.79) KDM4EKMT2AHTTSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 KDM4E 702/4885KMT2A 2389/4885HSD11B1 2/4885
US-20050256159-A1 1,4-disubstituted piperidine derivatives and their use as 11,betahsd1 inhibitors HSD11B1, HSD3B1, P4HA1 KDM4E 1277/4885KMT2A 1395/4885HSD11B1 1/4885

“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.