SCHEMBL1935936

SCHEMBL1935936

COCOc1cnc(OCc2ccccc2)cc1I

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
GABRA4 P48169 1/20 0.43
GABRE P78334 1/20 0.43
GABRA6 Q16445 1/20 0.43
GABRG1 Q8N1C3 1/20 0.43
GABRG3 Q99928 1/20 0.43
GABRQ Q9UN88 1/20 0.43
PKM P14618 1/20 0.40
FFAR1 O14842 2/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL30814775 0.89 GABRP (0.39) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL23663360 0.84 ABCB1 (0.51) FFAR1PDGFRBPDGFRAMAOBAPP
SCHEMBL20522582 0.83 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL15968679 0.80 FOLH1 (0.50) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL22712757 0.80 GABRP (0.42) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL22712746 0.79 MAOB (0.47) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL17541475 0.79 TUBB4A (0.34) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL29755761 0.78 GABRA5 (0.48) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL23301902 0.78 GABRA5 (0.48) GABRG2GABRB3GABRA5GABRA3GABRP
SCHEMBL15968225 0.77 MEN1 (0.43) GABRG2GABRB3GABRA5GABRA3GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10968231-B2 Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders SCOHIA PHARMA, INC. (JP) 2021-04-06 US disclosed
US-20200377509-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-03 US disclosed
EP-3601260-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS Takeda Pharmaceutical Company Limited (JP) 2020-02-05 EP disclosed
CN-110678458-A Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders 武田药品工业株式会社 2020-01-10 CN disclosed
WO-2018182050-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-10-04 WO disclosed
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-20120232099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-09-13 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
EP-2331502-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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 (5 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-10968231-B2 Substituted cyclyl-acetic acid derivatives for the treatment of metabolic disorders GLP1R, GPR119, GPR65 GABRG2 1274/4885GABRB3 1545/4885GABRA5 615/4885
US-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GABRG2 2617/4885GABRB3 2466/4885GABRA5 3887/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GABRG2 2617/4885GABRB3 2466/4885GABRA5 3887/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GABRG2 2617/4885GABRB3 2466/4885GABRA5 3887/4885
US-20200377509-A1 SUBSTITUTED CYCLYL-ACETIC ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC DISORDERS GLP1R, GPR119, GPR65 GABRG2 1274/4885GABRB3 1545/4885GABRA5 615/4885

“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.