SCHEMBL6562365

SCHEMBL6562365

N#Cc1ccc(CCNC=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51
LOXL2 Q9Y4K0 2/20 0.46
CNR1 P21554 1/20 0.46
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
CYP2A6 P11509 1/20 0.44
NOS3 P29474 2/20 0.43
NOS1 P29475 2/20 0.43
LSS P48449 2/20 0.42
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
CYP19A1 P11511 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL12500340 0.89 TSHR (0.46) CA12CA1CA2CA4CA9
SCHEMBL8763412 0.84 LMNA (0.50) CA12CA1CA2CA4MAPT
SCHEMBL7234638 0.82 CA12 (0.58) CA12CA1CA2CA4CA9
SCHEMBL517816 0.81 LOXL2 (0.59) CA12CA1CA2CA4CA9
SCHEMBL2246626 0.79 KCNJ1 (0.48) CA12CA1CA2CA4CA9
SCHEMBL8763272 0.78 LMNA (0.46) CA12CA1CA2CA4TSHR
SCHEMBL1983770 0.76 LOXL2 (0.53) CA12CA1CA2CA4CA9
SCHEMBL4864848 0.76 TSHR (0.50) CA12CA1CA2CA4CA9
SCHEMBL26148107 0.76 CYP2A6 (0.55) CA12CA1CA2CA4CA9
SCHEMBL6562364 0.76 KCNJ1 (0.50) CA12CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654834-B2 Non-systemic TGR5 agonists Venenum Biodesign, LLC (US) 2020-05-19 US disclosed
US-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS Venenum Biodesign, LLC (US) 2019-10-31 US disclosed
EP-1085009-B1 INDAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2004-11-10 EP disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 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-20190330191-A1 NOVEL NON-SYSTEMIC TGR5 AGONISTS GPR119, FFAR1, FFAR3 CA12 2954/4885CA1 3214/4885CA2 1250/4885
US-10654834-B2 Non-systemic TGR5 agonists GPR119, SSTR5, FFAR3 CA12 2780/4885CA1 3024/4885CA2 1042/4885

“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.