SCHEMBL10080932

SCHEMBL10080932

CC(=O)N1CCc2ccc(C(C)C)cc21

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 9/20 0.63
XIAP P98170 1/20 0.55
BIRC2 Q13490 1/20 0.55
ALDH1A1 P00352 2/20 0.50
TRIM24 O15164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
RAB9A P51151 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL25786385 0.91 NOTUM (0.59) NOTUMXIAPBIRC2ALDH1A1TRIM24
SCHEMBL6124253 0.88 NOTUM (0.65) NOTUMALDH1A1TRIM24SMN1; SMN2CYP11B1
SCHEMBL25820345 0.86 XIAP (0.54) NOTUMXIAPBIRC2ALDH1A1SMN1; SMN2
SCHEMBL22104629 0.84 XIAP (0.64) NOTUMXIAPBIRC2ALDH1A1CYP11B1
SCHEMBL21348490 0.81 HPGD (0.62) XIAPBIRC2ALDH1A1SMN1; SMN2LMNA
SCHEMBL14754335 0.80 NOTUM (0.55) NOTUMXIAPBIRC2ALDH1A1SMN1; SMN2
SCHEMBL13711475 0.79 PDK1 (0.64) NOTUMALDH1A1TRIM24SMN1; SMN2LMNA
SCHEMBL8141492 0.79 NOTUM (0.69) NOTUMALDH1A1SMN1; SMN2LMNAPKM
SCHEMBL429841 0.79 NOTUM (0.76) NOTUMXIAPBIRC2ALDH1A1SMN1; SMN2
SCHEMBL8613640 0.78 NOTUM (0.52) NOTUMXIAPBIRC2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-04-06 US disclosed
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2020-11-05 US disclosed
US-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-10364267-B2 Deuterated bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-07-30 US disclosed
US-20190194245-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2019-06-27 US disclosed
US-20170240585-A1 DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-08-24 US disclosed
US-20170240585-A1 DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2017-08-24 US disclosed
US-20160185815-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-06-30 US disclosed
US-20160176917-A1 Bile Acid Derivatives as FXR/TGR5 Agonists and Methods of Use Thereof ENANTA PHARMACEUTICALS, INC. 2016-06-23 US disclosed
US-20160145296-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-05-26 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-8268999-B2 Tri-cyclic pyrazolopyridine kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-18 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-03-01 US disclosed
WO-2010135014-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-25 WO disclosed
US-7566786-B2 Quinoline derivatives as phosphodiesterase inhibitors GLAXO GROUP LIMITED (GB) 2009-07-28 US 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 (11 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-10696713-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885XIAP 3786/4885BIRC2 4473/4885
US-10364267-B2 Deuterated bile acid derivatives as FXR/TGR5 agonists and methods of use thereof NR1H4, GPBAR1, SLC10A1 NOTUM 804/4885XIAP 4514/4885BIRC2 4780/4885
US-20160185815-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885XIAP 3786/4885BIRC2 4473/4885
US-20170240585-A1 DEUTERATED BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF NR1H4, GPBAR1, SLC10A1 NOTUM 804/4885XIAP 4514/4885BIRC2 4780/4885
US-20120053187-A1 TRI-CYCLIC PYRAZOLOPYRIDINE KINASE INHIBITORS PIK3CA, PIK3CD, PIK3CG NOTUM 3747/4885XIAP 992/4885BIRC2 635/4885
US-20190194245-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885XIAP 3786/4885BIRC2 4473/4885
US-20160176917-A1 Bile Acid Derivatives as FXR/TGR5 Agonists and Methods of Use Thereof GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885XIAP 3786/4885BIRC2 4473/4885
US-11718641-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885XIAP 3786/4885BIRC2 4473/4885
US-20200347092-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885XIAP 3786/4885BIRC2 4473/4885
US-10968249-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 NOTUM 1072/4885XIAP 3786/4885BIRC2 4473/4885
US-20160145296-A1 BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 NOTUM 1604/4885XIAP 4386/4885BIRC2 4625/4885

“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.