SCHEMBL588394

SCHEMBL588394

Clc1ccc(-c2ccccc2CN2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.67
HTR7 P34969 4/20 0.61
DRD4 P21917 1/20 0.58
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 5/20 0.51
ATM Q13315 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
ADORA1 P30542 1/20 0.51
BCL2 P10415 1/20 0.51
BAK1 Q16611 1/20 0.51
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
LSS P48449 1/20 0.50

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 SCHEMBL587708 0.98 SIGMAR1 (0.65) SIGMAR1HTR7DRD4KDM4EALDH1A1
SCHEMBL4754254 0.90 HTR7 (0.71) SIGMAR1HTR7DRD4KDM4EALDH1A1
SCHEMBL2190696 0.87 ALDH1A1 (0.63) SIGMAR1HTR7DRD4KDM4EALDH1A1
SCHEMBL8744976 0.87 KDM4E (0.55) SIGMAR1HTR7DRD4KDM4EALDH1A1
SCHEMBL29137691 0.87 BCL2 (0.57) SIGMAR1HTR7KDM4EALDH1A1LMNA
SCHEMBL1138135 0.86 HTR7 (0.60) SIGMAR1HTR7DRD4KDM4EALDH1A1
SCHEMBL2194377 0.86 HTR7 (0.63) HTR7KDM4EALDH1A1LMNAADORA1
SCHEMBL2190477 0.85 LMNA (0.58) SIGMAR1HTR7KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL9859525 0.85 HTR7 (0.62) HTR7KDM4EALDH1A1LMNAADORA1
SCHEMBL3988740 0.85 HTR7 (0.58) SIGMAR1HTR7KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101356162-A Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN (HU) 2009-01-28 CN claimed
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
CN-101356162-A Optically active carbamates, process for preparation thereof and use thereof as pharmaceutical intermediates EGIS GYOGYSZERGYAR NYILVANOSAN (HU) 2009-01-28 CN 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 SIGMAR1 47/4885HTR7 152/4885DRD4 281/4885

“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.