SCHEMBL4277611

SCHEMBL4277611

CN(C)[C@H]1CC[C@H](CC(=O)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 1/20 0.43
▸ ENPEP Q07075 1/20 0.43
▸ SLC6A12 P48065 4/20 0.41
▸ SLC6A11 P48066 4/20 0.41
▸ SLC6A13 Q9NSD5 4/20 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 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL3 Q96JM7 1/20 0.35
▸ FFAR4 Q5NUL3 2/20 0.34
▸ ITGB3 P05106 2/20 0.34
▸ ITGA2B P08514 2/20 0.34
▸ DGAT1 O75907 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
SCHEMBL4277617 1.00 ANPEP (0.43) ANPEPENPEPSLC6A12SLC6A11SLC6A13
Hydrochloric Acid SCHEMBL2948302 0.98 ANPEP (0.42) ANPEPENPEPSLC6A12SLC6A11SLC6A13
Hydrochloric Acid SCHEMBL2948299 0.98 ANPEP (0.42) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL17872289 0.82 ANPEP (0.40) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL17872292 0.82 ANPEP (0.40) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL24483431 0.81 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL74792 0.81 — —
SCHEMBL24197646 0.81 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL28300354 0.81 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13
SCHEMBL431287 0.81 ANPEP (0.56) ANPEPENPEPSLC6A12SLC6A11SLC6A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329263-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-25 — — US disclosed
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-07-24 — — US disclosed
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-02-16 — — US disclosed
WO-2015163427-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND 田辺三菱製薬株式会社 2015-10-29 — — WO disclosed
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 — — US disclosed
US-7737161-B2 Condensed furan compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-15 — — US disclosed
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 — — EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 — — US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 — — US disclosed
US-20090156803-A1 Condensed furan compounds KAWAGUCHI TAKAYUKI 2009-06-18 — — US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 — — US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 — — US disclosed
US-7514449-B2 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-04-07 — — US disclosed
US-20060094724-A1 Fused furan compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-05-04 — — US disclosed
EP-1582521-A1 FUSED FURAN COMPOUND TANABE SEIYAKU CO., LTD. (JP) 2005-10-05 — — EP 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 (6 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-10329263-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 ANPEP 1414/4885ENPEP 2669/4885SLC6A12 3268/4885
US-20170044115-A1 NOVEL DISUBSTITUTED 1, 2, 4-TRIAZINE COMPOUND NR3C2, REN, CYP21A2 ANPEP 1055/4885ENPEP 2145/4885SLC6A12 3170/4885
US-20090156803-A1 Condensed furan compounds F2, F12, F11 ANPEP 944/4885ENPEP 1397/4885SLC6A12 4687/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 ANPEP 1196/4885ENPEP 1587/4885SLC6A12 2620/4885
US-10029993-B2 Disubstituted 1, 2, 4-triazine compound NR3C2, REN, NR5A1 ANPEP 1414/4885ENPEP 2669/4885SLC6A12 3268/4885
US-20060094724-A1 Fused furan compound F2, F12, F11 ANPEP 824/4885ENPEP 1406/4885SLC6A12 4698/4885

“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.

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