SCHEMBL3335449

SCHEMBL3335449

O=C([C@@H]1CCCN1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.62
DPP8 Q6V1X1 4/20 0.62
DPP9 Q86TI2 4/20 0.62
HPGD P15428 1/20 0.52
FAP Q12884 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
PARP1 P09874 1/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
TGM2 P21980 1/20 0.41
NOS2 P35228 2/20 0.41
CA2 P00918 1/20 0.41
CHKA P35790 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 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
SCHEMBL3331450 1.00 DPP4 (0.62) DPP4DPP8DPP9HPGDFAP
SCHEMBL14548972 1.00 DPP4 (0.62) DPP4DPP8DPP9HPGDFAP
SCHEMBL10326191 1.00 DPP4 (0.62) DPP4DPP8DPP9HPGDFAP
SCHEMBL1383434 0.98 DPP4 (0.64) DPP4DPP8DPP9HPGDFAP
SCHEMBL488954 0.98 DPP4 (0.64) DPP4DPP8DPP9HPGDFAP
SCHEMBL488953 0.98 DPP4 (0.64) DPP4DPP8DPP9HPGDFAP
Hydrochloric Acid SCHEMBL5413834 0.96 DPP4 (0.62) DPP4DPP8DPP9HPGDFAP
SCHEMBL13661462 0.94 DPP4 (0.56) DPP4DPP8DPP9HPGDFAP
SCHEMBL1871830 0.94 DPP4 (0.56) DPP4DPP8DPP9HPGDFAP
SCHEMBL3332858 0.94 DPP4 (0.64) DPP4DPP8DPP9HPGDFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105399698-B Aromatic heterocyclic derivatives and its application in drug 广东东阳光药业有限公司 2018-08-10 CN disclosed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
US-20070249682-A1 Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications ZHENG ZHONGLI 2007-10-25 US disclosed
US-20070249682-A1 Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications ZHENG ZHONGLI 2007-10-25 US disclosed
US-7173046-B2 CD40:CD154 binding interrupter compounds and use thereof to treat immunological complications BIOGEN, INC. (US) 2007-02-06 US disclosed
US-7173046-B2 CD40:CD154 binding interrupter compounds and use thereof to treat immunological complications BIOGEN, INC. (US) 2007-02-06 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 (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-20070249682-A1 Novel CD40:CD154 binding interruptor compounds and use thereof to treat immunological complications CD40, CD40LG, TNFSF11 DPP4 341/4885DPP8 777/4885DPP9 1030/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 DPP4 2699/4885DPP8 2973/4885DPP9 2264/4885

“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.