SCHEMBL2838235

SCHEMBL2838235

Ic1ccc(OC2CCOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.40
▸ HRH3 Q9Y5N1 5/20 0.39
▸ APP P05067 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ DHFR P00374 1/20 0.39
▸ SYK P43405 1/20 0.37
▸ KAT2B Q92831 1/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.37
▸ HRH1 P35367 2/20 0.37
▸ LIPG Q9Y5X9 1/20 0.37
▸ PARP10 Q53GL7 1/20 0.37

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
SCHEMBL1208630 0.82 DHFR (0.46) HRH3APPACACBDHFRSYK
SCHEMBL256373 0.81 PARP10 (0.53) EPHX2HRH3ACACBHRH1PARP10
SCHEMBL255657 0.81 PARP10 (0.48) EPHX2HRH3HRH1PARP10
SCHEMBL5987287 0.80 SYK (0.51) HRH3APPACACBDHFRSYK
SCHEMBL1539247 0.80 KDM1A (0.44) EPHX2HRH3APPACACBDHFR
SCHEMBL15791371 0.80 EPHX2 (0.46) EPHX2HRH3APPACACBDHFR
SCHEMBL14603517 0.80 LIPG (0.45) EPHX2HRH3APPACACBDHFR
SCHEMBL31558513 0.79 ACACB (0.37) EPHX2APPACACBHRH1PARP10
SCHEMBL4373401 0.79 PARP10 (0.47) EPHX2HRH3HRH1PARP10
SCHEMBL16708022 0.79 HRH1 (0.59) APPDHFRSYKKAT2BBAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12528802-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-01-20 — — US disclosed
US-20220274982-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-09-01 — — US disclosed
EP-4005638-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2022-06-01 — — EP disclosed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 — — US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 — — US disclosed
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 — — WO disclosed
WO-2012079583-A1 SYSTEM PROVIDING CONTROLLED DELIVERY OF GASEOUS CO FOR CARBONYLATION REACTIONS AARHUS UNIVERSITET (DK) 2012-06-21 — — WO disclosed
EP-2398558-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-12-28 — — EP disclosed
WO-2010094659-A1 AMINE OR AMINO ALCOHOLS AS GLYT1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-26 — — WO disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 — — 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-12528802-B2 Heterocyclic compound GBA2, GBA1, GALC EPHX2 2568/4885HRH3 246/4885APP 824/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 EPHX2 2461/4885HRH3 571/4885APP 258/4885
US-20220274982-A1 HETEROCYCLIC COMPOUND GBA1, GBA2, GALC EPHX2 2545/4885HRH3 821/4885APP 337/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 EPHX2 2461/4885HRH3 571/4885APP 258/4885

“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.

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