SCHEMBL1475413

SCHEMBL1475413

Cc1ccccc1OCC1CCNC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.55
SLC6A4 P31645 8/20 0.55
SLC6A3 Q01959 4/20 0.55
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
PKM P14618 1/20 0.50
HTR1A P08908 2/20 0.46
HTR2B P41595 2/20 0.46
ADRB2 P07550 1/20 0.46
HTR2A P28223 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA2C P18825 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.45
MAP2K1 Q02750 1/20 0.43
HTR3A P46098 1/20 0.43
KCNH2 Q12809 1/20 0.43
HTR2C P28335 1/20 0.43
SSTR4 P31391 2/20 0.42
NISCH Q9Y2I1 1/20 0.42

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 SCHEMBL27158704 0.98 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL18694484 0.91 ALDH1A1 (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
SCHEMBL2240409 0.90 ALDH1A1 (0.56) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
Hydrochloric Acid SCHEMBL1475248 0.90 ALDH1A1 (0.49) SLC6A2SLC6A4SLC6A3ALDH1A1GLA
Hydrochloric Acid SCHEMBL1474902 0.89 ALDH1A1 (0.54) SLC6A2SLC6A4ALDH1A1GLAPKM
SCHEMBL1477493 0.84 ADRA2C (0.59) SLC6A2SLC6A4SLC6A3HTR1AHTR2B
SCHEMBL10066572 0.81 ALDH1A1 (0.65) ALDH1A1GLAPKMHTR2CNISCH
SCHEMBL256797 0.81 ALDH1A1 (0.65) ALDH1A1GLAPKMHTR2CNISCH
SCHEMBL1476519 0.81 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR1AMAP2K1
SCHEMBL31071539 0.81 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3HTR1AIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2024-08-08 US disclosed
EP-4329881-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-03-06 EP disclosed
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 CN disclosed
WO-2022232383-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2022-11-03 WO disclosed
US-7915274-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-03-29 US disclosed
US-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same OZAKI FUMIHIRO 2007-12-20 US disclosed
US-7265108-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2007-09-04 US disclosed
EP-1484327-B1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF EISAI R&D MAN CO LTD (JP) 2007-08-01 EP disclosed
US-6995144-B2 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI CO., LTD. (JP) 2006-02-07 US disclosed
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
EP-1484327-A1 NITROGENOUS HETEROCYCLIC COMPOUND AND MEDICINE THEREOF Eisai Co., Ltd. (JP) 2004-12-08 EP disclosed
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-08-26 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 (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-20070293496-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SLC6A2 1216/4885SLC6A4 826/4885SLC6A3 1349/4885
US-20240262832-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF GBA1, GAA, GBA2 SLC6A2 1368/4885SLC6A4 2270/4885SLC6A3 571/4885
US-20040167224-A1 Nitrogen containing heterocyclic compounds and medicines containing the same NQO1, CBR1, NOX1 SLC6A2 1196/4885SLC6A4 789/4885SLC6A3 1258/4885
US-20050245527-A1 Nitrogen containing heterocyclic compounds and medicines containing the same XDH, NQO1, CYP1A1 SLC6A2 1216/4885SLC6A4 826/4885SLC6A3 1349/4885

“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.