SCHEMBL587766

SCHEMBL587766

O=C(OCC(Cl)(Cl)Cl)N1CCN(c2ccc(Cl)cc2)CC1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 2/20 0.48
▸ NR1H3 Q13133 2/20 0.48
▸ GRM5 P41594 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ DRD4 P21917 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A9 P48067 1/20 0.40
▸ NOTUM Q6P988 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTR1A P08908 2/20 0.38

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
SCHEMBL587767 1.00 NR1H2 (0.48) NR1H2NR1H3GRM5MEN1MAPT
Hydrochloric Acid SCHEMBL588254 0.99 NR1H2 (0.48) NR1H2NR1H3GRM5MEN1MAPT
Hydrochloric Acid SCHEMBL588620 0.99 NR1H2 (0.48) NR1H2NR1H3GRM5MEN1MAPT
Hydrochloric Acid SCHEMBL588621 0.99 NR1H2 (0.48) NR1H2NR1H3GRM5MEN1MAPT
SCHEMBL588471 0.79 GRM5 (0.40) GRM5MEN1MAPTKMT2ADRD4
SCHEMBL587765 0.74 CA1 (0.39) DPP4
Hydrochloric Acid SCHEMBL588492 0.73 CA1 (0.39) DPP4
Hydrochloric Acid SCHEMBL588253 0.73 CA1 (0.39) DPP4
SCHEMBL2116079 0.73 MEN1 (0.49) GRM5MEN1MAPTKMT2ADRD4
SCHEMBL21594457 0.71 NR1H2 (0.51) NR1H2NR1H3MAPTSLC6A4DPP4

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 NR1H2 828/4885NR1H3 1112/4885GRM5 1153/4885

“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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