SCHEMBL1704526

SCHEMBL1704526

COc1cc(Br)ccc1C1OCCO1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTT P42858 1/20 0.35
LPAR1 Q92633 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
SCHEMBL1670216 0.86 MEN1 (0.47) NPC1RAB9ASLC6A2SLC6A4KDM4E
SCHEMBL15068444 0.83 CYP3A4 (0.39) NPC1RAB9ASLC6A2SLC6A4KDM4E
SCHEMBL27438368 0.81 ACHE (0.48) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL3686228 0.80 KMT2A (0.45) NPC1SLC6A2SLC6A4KDM4ETDP1
SCHEMBL25385728 0.80 ADRA2A (0.33) NPC1RAB9A
SCHEMBL30378110 0.80 ADRA2A (0.33) NPC1RAB9A
SCHEMBL829699 0.79 MAPT (0.44) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL25385149 0.79 MAOB (0.47) NPC1RAB9ASLC6A4
SCHEMBL5259483 0.78 MAPT (0.43) NPC1RAB9AKDM4EKMT2AMEN1
SCHEMBL6040717 0.77 HTR2C (0.47) NPC1RAB9AKDM4EALDH1A1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3811944-B1 PYRAZINE DERIVATIVE AS CHK1 INHIBITOR SENTINEL ONCOLOGY LTD (GB) 2025-07-16 EP disclosed
US-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. 2025-04-10 US disclosed
EP-4486390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF Terremoto Biosciences, Inc (US) 2025-01-08 EP disclosed
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 US disclosed
US-11786524-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2023-10-17 US disclosed
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 WO disclosed
WO-2023168291-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2023-09-07 WO disclosed
WO-2022253907-A1 PHARMACEUTICAL SALTS OF A CHK-1 INHIBITOR SENTINEL ONCOLOGY LIMITED (GB) 2022-12-08 WO disclosed
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2021-09-09 US disclosed
US-20130090498-A1 PROCESSES FOR PRODUCING 4-BROMO-2-METHOXYBENZALDEHYDE ALBEMARLE CORPORATION (US) 2013-04-11 US disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 EP disclosed
WO-2012009173-A1 PROCESSES FOR PRODUCING 4-BROMO-2-METHOXYBENZALDEHYDE ALBEMARLE CORPORATION (US) 2012-01-19 WO disclosed
CN-102112465-A Crystalline forms of 6- [ (4S) -2-methyl-4- (2-naphthyl) -1,2,3, 4-tetrahydroisoquinolin-7-yl ] pyridazin-3-amine BRISTOL MYERS SQUIBB CO 2011-06-29 CN disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 WO disclosed
CN-1129604-C Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 2003-12-03 CN disclosed
CN-1226895-A Amino acid derivatives and their use as thrombin inhibitors ASTRA AB (SE) 1999-08-25 CN 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 (5 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-20250115600-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF AKT1, AKT1S1, AKT2 NPC1 4266/4885RAB9A 1322/4885SLC6A2 4834/4885
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 NPC1 840/4885RAB9A 2456/4885SLC6A2 1059/4885
US-20130090498-A1 PROCESSES FOR PRODUCING 4-BROMO-2-METHOXYBENZALDEHYDE KCNMB4, KCNB1, KCNMB1 NPC1 3625/4885RAB9A 4149/4885SLC6A2 1967/4885
US-11786524-B2 Pharmaceutical compounds CHKA, CHKB, TNK2 NPC1 306/4885RAB9A 1682/4885SLC6A2 4348/4885
US-20210275525-A1 PHARMACEUTICAL COMPOUNDS CHKA, CHKB, TNK2 NPC1 306/4885RAB9A 1682/4885SLC6A2 4348/4885

“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.