SCHEMBL96264

SCHEMBL96264

CCCN(CC)C(=O)CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.46
CA9 Q16790 5/20 0.46
CA2 P00918 3/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
CA1 P00915 4/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP8 P22894 2/20 0.36
HTR1A P08908 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6539776 0.90 ALDH1A1 (0.54) CA12CA9CA2ALDH1A1HPGD
SCHEMBL5143938 0.86 CA12 (0.57) CA12CA9CA2ALDH1A1HPGD
SCHEMBL28912905 0.85 ALDH1A1 (0.46) CA12CA9CA2ALDH1A1HPGD
SCHEMBL408418 0.84
SCHEMBL8053713 0.82 MGLL (0.50) CA12CA9CA2LMNACA1
SCHEMBL10489425 0.82 CA12 (0.48) CA12CA9CA2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL25340335 0.81 LMNA (0.55) CA12CA9CA2ALDH1A1HPGD
Water SCHEMBL1962560 0.81 MGLL (0.48) CA12CA9CA2LMNACA1
SCHEMBL13317119 0.80 ALDH1A1 (0.56) CA12CA9CA2ALDH1A1HPGD
SCHEMBL12339144 0.80 CA12 (0.46) CA12CA9CA2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US claimed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US claimed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 US claimed
EP-1070046-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-24 EP claimed
WO-1999051564-A1 PROPANOLAMINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-14 WO claimed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5244898-A Vasopressin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-14 US disclosed
EP-0514667-A1 Benzazepin derivatives as vasopressin antagonists OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-25 EP disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB CA12 3743/4885CA9 2466/4885CA2 823/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CA12 1180/4885CA9 895/4885CA2 254/4885
US-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP CA12 4553/4885CA9 3789/4885CA2 4654/4885

“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.