SCHEMBL8248348

SCHEMBL8248348

COC(=O)[C@@H]1CCCN1C(=O)CCl

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
ALDH1A1 P00352 3/20 0.51
FKBP1A P62942 2/20 0.50
LMNA P02545 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PKM P14618 1/20 0.48
PEPD P12955 2/20 0.47
XPNPEP1 Q9NQW7 1/20 0.44
ACE P12821 1/20 0.44
KLK5 Q9Y337 1/20 0.42
ALOX5 P09917 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
SCHEMBL2636058 1.00 POLB (0.52) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL5097555 0.95 FKBP1A (0.56) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL2770377 0.90 FKBP1A (0.42) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL7333530 0.85 POLB (0.54) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL4179454 0.85 FKBP1A (0.55) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL7333522 0.85 POLB (0.54) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL13662643 0.85 FKBP1A (0.55) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL23135776 0.83 ALDH1A1 (0.54) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL5491765 0.83 LMNA (0.54) POLBALDH1A1FKBP1ALMNARAB9A
SCHEMBL683797 0.83 POLB (0.52) POLBALDH1A1FKBP1ALMNARAB9A

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
CN-109251211-B Quinolone carboxylic acid compound and intermediate thereof, preparation method and application 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2025-03-07 CN disclosed
CN-115650984-A Preparation method of anagliptin 江苏君若药业有限公司 2023-01-31 CN disclosed
CN-106674254-B Quinolone carboxylic acid compounds and intermediates, preparation method and application thereof 广东省中医院 2019-03-15 CN disclosed
CN-109251211-A A kind of quinolonecarboxylic acid compound and its intermediate, preparation method and application 广东省中医院(广州中医药大学第二附属医院、广州中医药大学第二临床医学院、广东省中医药科学院) 2019-01-22 CN disclosed
CN-106674254-A Quinolone carboxylic acid compounds and intermediates, preparation method and application thereof 广东省中医院 2017-05-17 CN disclosed
EP-3110795-A1 NOVEL ECONOMIC PROCESS FOR VILDAGLIPTIN Hikal Limited (IN) 2017-01-04 EP disclosed
CN-106029635-A Novel economic process for vildagliptin 海蔻有限公司 2016-10-12 CN disclosed
WO-2015128718-A1 NOVEL ECONOMIC PROCESS FOR VILDAGLIPTIN HIKAL LIMITED (IN) 2015-09-03 WO disclosed
US-8796454-B2 Synthesis of [2.2.2]-diazabicyclic ring systems COLLEGE OF WILLIAM AND MARY (US) 2014-08-05 US disclosed
US-20130296564-A1 SYNTHESIS OF [2.2.2]-DIAZABICYCLIC RING SYSTEMS COLLEGE OF WILLIAM AND MARY (US) 2013-11-07 US disclosed
US-8097618-B2 Pyridine derivatives and their use in the treatment of psychotic disorders GLAXOSMITHKLINE LLC (US) 2012-01-17 US disclosed
US-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders KaNDy Therapeutics Limited (GB) 2011-08-04 US disclosed
EP-2336136-A1 Pyridine derivatives and their use in the treatment of psychotic disorders GlaxoSmithKline LLC (US) 2011-06-22 EP disclosed
WO-2007028654-A1 PYRIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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-20110190276-A1 Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders NDUFB7, NDUFB6, GABRE POLB 2084/4885ALDH1A1 337/4885FKBP1A 768/4885
US-20130296564-A1 SYNTHESIS OF [2.2.2]-DIAZABICYCLIC RING SYSTEMS BRD2, AZI2, CNDP2 POLB 3614/4885ALDH1A1 260/4885FKBP1A 2984/4885

“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.