SCHEMBL269679

SCHEMBL269679

CCC[CH]c1ccc2ccccc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.49
KDM4E B2RXH2 8/20 0.49
NPC1 O15118 7/20 0.49
LMNA P02545 6/20 0.49
PKM P14618 2/20 0.49
MAPT P10636 8/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
ECE2 P0DPD6 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL177539 0.86 RAB9A (0.53) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL1163276 0.77 NPC1 (0.56) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL22501441 0.75 KDM4E (0.50) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL5093246 0.74 KDM4E (0.58) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL8667791 0.74 NPC1 (0.49) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL5093237 0.74 KDM4E (0.58) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL8671337 0.74 RAB9A (0.53) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL267838 0.74 RAB9A (0.57) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL16600029 0.74 LMNA (0.59) RAB9AKDM4ENPC1LMNAPKM
SCHEMBL524926 0.73 RAB9A (0.61) RAB9AKDM4ENPC1LMNAPKM

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
EP-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 EP disclosed
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 EP disclosed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
EP-1910317-B1 1-AMINO LINKED COMPOUNDS LILLY CO ELI (US) 2013-07-03 EP disclosed
EP-1910274-B1 PHENYL COMPOUNDS LILLY CO ELI (US) 2012-08-08 EP disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8133907-B2 Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin ELI LILLY AND COMPANY (US) 2012-03-13 US disclosed
US-8106090-B2 Antidiabetic agents; prevent of non-insulin dependent diabetes ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
US-8080657-B2 Compounds of reverse turn mimetics and the use thereof CHOONGWAE PHARMA CORPORATION (KR) 2011-12-20 US disclosed
US-8076514-B2 Dipeptidyl peptidase IV inhibitors; Type II diabetes; 2-[(2S,3R)-3-Amino-2-hydroxy-4-(2,4,5-trifluoro-phenyl)-butyl]-N-tert-butyl-4-chloro-benzamide Hydrochloride ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
WO-2007015805-A1 1-AMINO LINKED COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed
WO-2007015767-A1 PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed
WO-2007015807-A1 PHENYL COMPOUNDS ELI LILLY AND COMPANY (US) 2007-02-08 WO disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 WO disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 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 (1 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 RAB9A 636/4885KDM4E 1568/4885NPC1 805/4885

“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.