SCHEMBL337618

SCHEMBL337618

O=C(O)C[C@@H]1CC[C@H](O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A12 P48065 5/20 0.43
SLC6A11 P48066 5/20 0.43
SLC6A13 Q9NSD5 5/20 0.43
SLC6A1 P30531 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA1 P14867 1/20 0.43
GABRR1 P24046 1/20 0.43
GABRA4 P48169 1/20 0.43
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
HSD11B1 P28845 1/20 0.37
ADCY5 O95622 1/20 0.34
CYP3A4 P08684 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PLG P00747 1/20 0.32

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
SCHEMBL337617 1.00 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10086732 1.00 SLC6A12 (0.43) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL604906 0.98 SLC6A12 (0.42) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL337672 0.86 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL337979 0.86 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL10086694 0.86 SLC6A12 (0.41) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL338555 0.85 ANPEP (0.48) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL1861522 0.85 ANPEP (0.48) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL2255221 0.85 ANPEP (0.48) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5
SCHEMBL11693682 0.85 SLC6A12 (0.50) SLC6A12SLC6A11SLC6A13SLC6A1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2922859-B1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS UNIV CORK (IE) 2021-05-05 EP disclosed
US-10689408-B2 Bisphosphonic acid compound FUJIYAKUHIN CO., LTD. (JP) 2020-06-23 US disclosed
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND FUJIYAKUHIN CO., LTD. (JP) 2019-01-03 US disclosed
EP-3409679-A1 NOVEL BISPHOSPHONIC ACID COMPOUND Fuji Yakuhin Co., Ltd. (JP) 2018-12-05 EP disclosed
EP-3148975-B1 PIPERAZINE DERIVATIVES AS ROR-GAMMA MODULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2018-11-28 EP disclosed
US-9902735-B2 Heteroaryl substituted compounds as RORγ inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-02-27 US disclosed
US-9822137-B2 Phosphonucleosides useful in the treatment of viral disorders UNIVERSITY COLLEGE CORK (IE) 2017-11-21 US disclosed
US-20170197978-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-07-13 US disclosed
US-20150291640-A1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-10-15 US 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
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 (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-20170197978-A1 NOVEL COMPOUNDS RORC, RORB, RORA SLC6A12 4845/4885SLC6A11 3915/4885SLC6A13 4013/4885
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-10689408-B2 Bisphosphonic acid compound SOST, PTH1R, BMP2 SLC6A12 859/4885SLC6A11 124/4885SLC6A13 220/4885
US-20190002482-A1 NOVEL BISPHOSPHONIC ACID COMPOUND SOST, PTH1R, BMP2 SLC6A12 866/4885SLC6A11 135/4885SLC6A13 229/4885
US-20150291640-A1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS ENTPD5, PNP, MTAP SLC6A12 3249/4885SLC6A11 3860/4885SLC6A13 4224/4885

“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.