SCHEMBL588470

SCHEMBL588470

O=C(OCC(Cl)(Cl)Cl)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.50
POLB P06746 2/20 0.50
HTR7 P34969 2/20 0.50
BCL2 P10415 6/20 0.48
BAK1 Q16611 3/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BCL2L1 Q07817 3/20 0.44
LMNA P02545 1/20 0.44
MGLL Q99685 2/20 0.43
PLA2G7 Q13093 1/20 0.43
ABHD6 Q9BV23 1/20 0.43
GAA P10253 1/20 0.43
FAAH O00519 1/20 0.43
TACR2 P21452 1/20 0.43

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
SCHEMBL376877 0.83 VEGFA (0.58) ALDH1A1KDM4EPOLBHTR7BCL2
SCHEMBL1958329 0.81 HTR7 (0.55) ALDH1A1KDM4EPOLBHTR7BCL2
SCHEMBL587589 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBSMN1; SMN2LMNA
SCHEMBL1700190 0.77 VEGFA (0.51) ALDH1A1HTR7BCL2BAK1BCL2L1
SCHEMBL1446715 0.76 HTR7 (0.51) ALDH1A1KDM4EPOLBHTR7BCL2
SCHEMBL1446676 0.76 LMNA (0.53) ALDH1A1KDM4EPOLBHTR7BCL2
SCHEMBL29137691 0.75 BCL2 (0.57) ALDH1A1KDM4EPOLBHTR7BCL2
SCHEMBL1138135 0.75 HTR7 (0.60) ALDH1A1KDM4EHTR7BCL2BAK1
SCHEMBL10929641 0.75 HTR7 (0.54) ALDH1A1KDM4EHTR7BCL2BAK1
SCHEMBL3954643 0.74 CACNA1G (0.55) ALDH1A1POLBHTR7BCL2BAK1

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 ALDH1A1 347/4885KDM4E 71/4885POLB 3101/4885

“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.