SCHEMBL1602633

SCHEMBL1602633

CCC(CC(=O)O)Nc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HCAR3 P49019 1/20 0.49
HCAR2 Q8TDS4 1/20 0.49
FDPS P14324 1/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
PKM P14618 2/20 0.45
LMNA P02545 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
ITGB6 P18564 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL30919983 1.00 ALDH1A1 (0.49) ALDH1A1HCAR3HCAR2FDPSGAA
SCHEMBL17234135 1.00 ALDH1A1 (0.49) ALDH1A1HCAR3HCAR2FDPSGAA
SCHEMBL17234143 1.00 ALDH1A1 (0.49) ALDH1A1HCAR3HCAR2FDPSGAA
SCHEMBL30920017 1.00 ALDH1A1 (0.49) ALDH1A1HCAR3HCAR2FDPSGAA
SCHEMBL23586876 0.88 MME (0.46) ALDH1A1FDPSGAAPOLBNPC1
SCHEMBL17234224 0.88 MME (0.46) ALDH1A1FDPSGAAPOLBNPC1
SCHEMBL17234229 0.88 MME (0.46) ALDH1A1FDPSGAAPOLBNPC1
SCHEMBL30919960 0.88 MME (0.46) ALDH1A1FDPSGAAPOLBNPC1
SCHEMBL17234138 0.85 FDPS (0.46) FDPSGAAPOLBNPC1RAB9A
SCHEMBL30919966 0.85 FDPS (0.46) FDPSGAAPOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016176636-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX, INC. (US) 2016-11-03 WO claimed
US-8394961-B2 Method for the preparation of dabigatran ZENTIVA K.S. (CZ) 2013-03-12 US claimed
US-20110082299-A1 METHOD FOR THE PREPARATION OF DABIGATRAN ZENTIVA K.S. (CZ) 2011-04-07 US claimed
EP-2262771-A1 A METHOD FOR THE PREPARATION OF DABIGATRAN Zentiva, K.S. (CZ) 2010-12-22 EP claimed
WO-2009111997-A1 A METHOD FOR THE PREPARATION OF DABIGATRAN ZENTIVA, K.S. (CZ) 2009-09-17 WO claimed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 US disclosed
US-9688657-B2 Synthesis of dabigatran USV PRIVATE LIMITED (IN) 2017-06-27 US disclosed
US-20160060248-A1 SYNTHESIS OF DABIGATRAN USV PRIVATE LIMITED (IN) 2016-03-03 US disclosed
US-8394961-B2 Method for the preparation of dabigatran ZENTIVA K.S. (CZ) 2013-03-12 US disclosed
US-20110082299-A1 METHOD FOR THE PREPARATION OF DABIGATRAN ZENTIVA K.S. (CZ) 2011-04-07 US disclosed
EP-2262771-A1 A METHOD FOR THE PREPARATION OF DABIGATRAN Zentiva, K.S. (CZ) 2010-12-22 EP disclosed
WO-2009111997-A1 A METHOD FOR THE PREPARATION OF DABIGATRAN ZENTIVA, K.S. (CZ) 2009-09-17 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 (4 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-20160060248-A1 SYNTHESIS OF DABIGATRAN ESD, F2, PROC ALDH1A1 309/4885HCAR3 979/4885HCAR2 1823/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 ALDH1A1 2023/4885HCAR3 1746/4885HCAR2 1693/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 ALDH1A1 2023/4885HCAR3 1746/4885HCAR2 1693/4885
US-20110082299-A1 METHOD FOR THE PREPARATION OF DABIGATRAN PROC, VKORC1, VKORC1L1 ALDH1A1 1100/4885HCAR3 660/4885HCAR2 1015/4885

“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.