SCHEMBL587765

SCHEMBL587765

O=C(OCC(Cl)(Cl)Cl)N1CCNC[C@H]1Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA4 P22748 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ DPP4 P27487 4/20 0.38
▸ CHIT1 Q13231 2/20 0.37
▸ CHIA Q9BZP6 2/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ DPP7 Q9UHL4 2/20 0.36
▸ REN P00797 1/20 0.36
▸ SCN5A Q14524 1/20 0.36
▸ SCN2A Q99250 1/20 0.36
▸ SCN10A Q9Y5Y9 1/20 0.36

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 SCHEMBL588253 0.99 CA1 (0.39) CA1CA2CA4CA9DPP4
Hydrochloric Acid SCHEMBL588492 0.99 CA1 (0.39) CA1CA2CA4CA9DPP4
SCHEMBL5359873 0.80 PARP1 (0.55) CA1CA2CA4CA9DPP4
SCHEMBL587766 0.74 NR1H2 (0.48) DPP4
SCHEMBL587767 0.74 NR1H2 (0.48) DPP4
Hydrochloric Acid SCHEMBL588562 0.73 CHIT1 (0.36) CA1CA2CA4CA9CHIT1
Hydrochloric Acid SCHEMBL588097 0.73 CHIT1 (0.36) CA1CA2CA4CA9CHIT1
Hydrochloric Acid SCHEMBL588620 0.73 NR1H2 (0.48) DPP4
Hydrochloric Acid SCHEMBL588254 0.73 NR1H2 (0.48) DPP4
Hydrochloric Acid SCHEMBL588621 0.73 NR1H2 (0.48) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963296-B1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKOEDOE RESZVENYTARSASAG (HU) 2012-02-15 — — EP disclosed
US-7851627-B2 Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2010-12-14 — — US disclosed
US-20090221823-A1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-09-03 — — US disclosed
EP-1963296-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvánosan Múködö Részvénytársaság (HU) 2008-09-03 — — EP disclosed
WO-2007066163-A2 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES Egis Gyógyszergyár Nyilvanosan Mukodo Reszvenytarsasag (HU) 2007-06-14 — — 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 (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-20090221823-A1 OPTICALLY ACTIVE CARBAMATES, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS PHARMACEUTICAL INTERMEDIATES HRH4, HRH1, HRH2 CA1 1008/4885CA2 467/4885CA4 74/4885

“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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