SCHEMBL337672

SCHEMBL337672

O=C(O)CC1CCCC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.41
SLC6A11 P48066 5/20 0.41
SLC6A13 Q9NSD5 5/20 0.41
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ANPEP P15144 2/20 0.35
ENPEP Q07075 1/20 0.35
HSD11B1 P28845 2/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
DPP4 P27487 1/20 0.33

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
SCHEMBL337979 1.00 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10086694 1.00 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL337617 0.86 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL337618 0.86 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10086732 0.86 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL652967 0.86 SLC6A12 (0.46) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL12345487 0.86 SLC6A12 (0.46) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL604906 0.84 SLC6A12 (0.42) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL177588 0.81
SCHEMBL16787716 0.81 TLR4 (0.36) ALDH1A1SLC1A3SLC1A2SLC1A1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112041316-B Isoxazole O-linked carbamoyl cyclohexyl acids as LPA antagonists 百时美施贵宝公司 2024-11-22 CN disclosed
EP-3728240-B1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2022-06-29 EP disclosed
CN-110018540-B Stretched film and method for producing same 柯尼卡美能达株式会社 2022-06-14 CN disclosed
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists BRISTOL MYERS SQUIBB CO (US) 2021-11-23 US disclosed
CN-110014679-B Method for producing stretched film 柯尼卡美能达株式会社 2021-09-14 CN disclosed
CN-112041316-A Isoxazole O-linked carbamoylcyclohexanoic acids as LPA antagonists 百时美施贵宝公司 2020-12-04 CN disclosed
EP-3728240-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS Bristol-Myers Squibb Company (US) 2020-10-28 EP disclosed
US-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-10-08 US disclosed
CN-106536489-B Retinoid-related orphan receptor gamma modulators and uses thereof 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
EP-3148975-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-11-28 EP disclosed
CN-106054302-A Polaroid protection film, polaroid therewith, and manufacturing method for polaroid protection film 柯尼卡美能达株式会社 2016-10-26 CN disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
WO-2015180612-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-03 WO disclosed
CN-101778820-B Benzoyl-piperidine derivatives as dual modulators of the 5-ht2a and d3 receptors HOFFMANN LA ROCHE 2012-12-05 CN disclosed
US-8097637-B2 Benzoyl-piperidine derivatives as dual modulators of the 5-HT2A and D3 receptors HOFFMANN-LA ROCHE INC. (US) 2012-01-17 US disclosed
EP-2185513-B1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN LA ROCHE (CH) 2011-06-08 EP disclosed
CN-101778820-A Benzoyl-piperidine derivatives as dual modulators of the 5-ht2a and d3 receptors HOFFMANN LA ROCHE 2010-07-14 CN disclosed
EP-2185513-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. Hoffmann-Roche AG (CH) 2010-05-19 EP disclosed
WO-2009019174-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-12 WO disclosed
US-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HOFFMANN-LA ROCHE, INC. 2009-02-12 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 (3 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-20090042943-A1 BENZOYL-PIPERIDINE DERIVATIVES AS DUAL MODULATORS OF THE 5-HT2A AND D3 RECEPTORS HTR2A, HTR3A, HTR5A SLC6A12 1882/4885SLC6A11 838/4885SLC6A13 512/4885
US-20200317655-A1 ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS LPAR3, LPAR4, LPAR6 SLC6A12 2958/4885SLC6A11 584/4885SLC6A13 807/4885
US-11180488-B2 Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists LPAR3, LPAR6, LPAR4 SLC6A12 2990/4885SLC6A11 562/4885SLC6A13 781/4885

“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.