SCHEMBL841236

SCHEMBL841236

CN(CCC(C)(C)C)CCC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
GGPS1 O95749 1/20 0.31
FDPS P14324 1/20 0.31
AGTR1 P30556 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL15182740 0.88 CA12 (0.61) CA12CA2CA3CA4CA6
SCHEMBL12890945 0.88 CA12 (0.61) CA12CA2CA3CA4CA6
SCHEMBL12156851 0.88 ARG1 (0.36) CA12CA2CA3CA4CA6
SCHEMBL13649903 0.88 CHRM2 (0.36) CA12CA2CA3CA4CA6
SCHEMBL21472709 0.86 CHRM2 (0.40) CA12CA2CA3CA4CA6
SCHEMBL12890963 0.86 MAPT (0.41) CA12CA2CA3CA4CA6
SCHEMBL13407589 0.84
SCHEMBL12890948 0.84 TSHR (0.32) TSHR
SCHEMBL22299488 0.84 PRMT1 (0.48)
SCHEMBL20805129 0.84 CHRM2 (0.44) TSHRGGPS1FDPSAGTR1OPRM1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029790-B2 Biomimetic nanomaterials and uses thereof OHIO STATE INNOVATION FOUNDATION (US) 2024-07-09 US disclosed
US-20230323027-A1 POLYMERISATION PROCESS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2023-10-12 US disclosed
US-20230181743-A1 FUNCTIONAL LIPID DERIVATIVES AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-15 US disclosed
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2023-03-30 US disclosed
US-20220402966-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2022-12-22 US disclosed
EP-3386473-B1 OLIGOESTER AMMONIUM SALTS AND THEIR USE IN COSMETIC COMPOSITIONS CLARIANT INT LTD (CH) 2022-04-20 EP disclosed
US-20210315896-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2021-10-14 US disclosed
US-11040998-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-22 US disclosed
EP-3277286-B1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2021-04-21 EP disclosed
US-20200109164-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARM INC (US) 2020-04-09 US disclosed
US-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2016-10-06 US disclosed
US-8143282-B2 Heterocyclic compounds S*BIO PTE LTD. (SG) 2012-03-27 US disclosed
EP-1896363-B1 EUO STRUCTURAL TYPE ZEOLITE CONTAINING THE CATION N,N- DIMETHYL-N,N-DI(3,3-DIMETHYLBUTYL)AMMONIUM, AND THE PRODUCTION METHOD THEREOF INST FRANCAIS DU PETROLE (FR) 2012-01-25 EP disclosed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US disclosed
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT S'BIO PTE LTD (SG) 2010-04-22 US disclosed
US-20090306134-A1 Muscarinic receptor antagonists THERAVANCE BIOPHARMA R&D IP, LLC 2009-12-10 US disclosed
US-20090048300-A1 Heterocyclic Compounds S*BIO PTE LTD. (SG) 2009-02-19 US disclosed
US-7456203-B2 Muscarinic receptor antagonists THERAVANCE, INC. (US) 2008-11-25 US disclosed
EP-1980532-A1 Method for preparing a beta zeolite IFP (FR) 2008-10-15 EP disclosed
US-20070197509-A1 Compositions and methods for modulating gated ion channels PAINCEPTOR PHARMA CORPORATION (CA) 2007-08-23 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 (12 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-11040998-B2 Bile acid derivatives as FXR/TGR5 agonists and methods of use thereof GPBAR1, NR1H4, SLC10A1 CA12 2446/4885CA2 1361/4885CA3 1259/4885
US-20210315896-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 CA12 4822/4885CA2 4388/4885CA3 4618/4885
US-20220402966-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 CA12 2446/4885CA2 1361/4885CA3 1259/4885
US-20090048300-A1 Heterocyclic Compounds HDAC1, HDAC3, HDAC11 CA12 1998/4885CA2 1473/4885CA3 1420/4885
US-20160289262-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 CA12 2446/4885CA2 1361/4885CA3 1259/4885
US-20100098691-A1 COMBINATION OF BENZIMIDAZOLE ANTI-CANCER AGENT AND A SECOND ANTI-CANCER AGENT PAICS, HDAC5, HDAC4 CA12 636/4885CA2 704/4885CA3 2097/4885
US-20200109164-A1 BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF GPBAR1, NR1H4, SLC10A1 CA12 2446/4885CA2 1361/4885CA3 1259/4885
US-12029790-B2 Biomimetic nanomaterials and uses thereof MTREX, HAVCR2, TSG101 CA12 234/4885CA2 1634/4885CA3 3074/4885
US-20230181743-A1 FUNCTIONAL LIPID DERIVATIVES AND USES THEREOF LIPA, LIPG, LIPC CA12 2986/4885CA2 3988/4885CA3 4612/4885
US-20070197509-A1 Compositions and methods for modulating gated ion channels KCNN3, KCNN2, HCN3 CA12 3310/4885CA2 222/4885CA3 248/4885
US-20230097358-A1 INDAZOLE BASED COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, CRBN, MDM2 CA12 4822/4885CA2 4388/4885CA3 4618/4885
US-20090306134-A1 Muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 CA12 2548/4885CA2 2042/4885CA3 3511/4885

“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.