SCHEMBL2886330

SCHEMBL2886330

CC(C)CN(CC(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA12 O43570 3/20 0.56
CA2 P00918 3/20 0.56
CA9 Q16790 3/20 0.56
ALDH1A1 P00352 2/20 0.39
FPR1 P21462 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MLYCD O95822 2/20 0.38
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RNPEP Q9H4A4 1/20 0.35

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
Hydrochloric Acid SCHEMBL11601843 0.97 CA1 (0.54) CA1CA12CA2CA9ALDH1A1
SCHEMBL969491 0.87 CA12 (0.50) CA1CA12CA2CA9ALDH1A1
SCHEMBL25175802 0.87 CA1 (0.50) CA1CA12CA2CA9ALDH1A1
SCHEMBL28282434 0.86 CA12 (0.45) CA1CA12CA2CA9ALDH1A1
SCHEMBL22341266 0.85 CA12 (0.48) CA1CA12CA2CA9ALDH1A1
SCHEMBL15080653 0.85 CA12 (0.48) CA1CA12CA2CA9ALDH1A1
SCHEMBL159185 0.81 CA12 (0.45) CA1CA12CA2CA9ALDH1A1
SCHEMBL10828032 0.81 CA12 (0.45) CA1CA12CA2CA9ALDH1A1
SCHEMBL5475298 0.80 TP53 (0.38) CA1CA12CA2CA9ALDH1A1
SCHEMBL17870797 0.80 TP53 (0.38) CA1CA12CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903979-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND THEIR USES INHIBIKASE THERAPEUTICS INC (US) 2020-08-19 EP claimed
EP-2640721-B1 AGONISTS THAT ENHANCE BINDING OF INTEGRIN-EXPRESSING CELLS TO INTEGRIN RECEPTORS TEXAS HEART INST (US) 2018-06-06 EP claimed
CN-101146530-B 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG 2011-05-18 CN claimed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP claimed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US claimed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US claimed
CN-101146530-A 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG (CH) 2008-03-19 CN claimed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP claimed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO claimed
EP-0885239-B1 NOVEL STEROID CARBAMATES AS POTENTIATING AGENTS BATRA SATISH (SE) 2002-08-07 EP claimed
CN-109608436-B Substituted methyl formyl reagents and methods of using same to improve physicochemical and/or pharmacokinetic properties of compounds 斯法尔制药私人有限公司 2022-10-11 CN disclosed
EP-3950692-A1 NOVEL TRICYCLIC COMPOUNDS AbbVie Inc. (US) 2022-02-09 EP disclosed
CN-109053742-B Novel tricyclic compounds ABBVIE 公司 2021-06-15 CN disclosed
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2021-03-04 US disclosed
US-RE47221-E1 Tricyclic compounds ABBVIE INC. (US) 2019-02-05 US disclosed
EP-0443883-A1 Carbapenem derivatives having antibiotic activity, their preparation and their use Sankyo Company Limited (JP) 1991-08-28 EP disclosed
US-5021432-A Hypotensive agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-06-04 US disclosed
EP-0339562-A1 Benzopyran compound and its pharmaceutical use YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-11-02 EP disclosed
US-4681806-A Particles containing releasable fill material and method of making same MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-07-21 US disclosed
US-4277364-A Encapsulation by entrapment THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1981-07-07 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-20080194549-A1 Organic Compounds REN, ACE, OTC CA1 1328/4885CA12 1565/4885CA2 537/4885
US-20210061813-A1 NOVEL TRICYCLIC COMPOUNDS CYP11B2, CYP11B1, ABCB1 CA1 1857/4885CA12 641/4885CA2 1833/4885

“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.