SCHEMBL588988

SCHEMBL588988

Clc1ccc(N2CCN(Cc3ccccc3)C[C@H]2Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 3/20 0.56
SIGMAR1 Q99720 2/20 0.55
ALDH1A1 P00352 1/20 0.52
TACR1 P25103 2/20 0.48
SLC6A2 P23975 2/20 0.47
SLC6A4 P31645 2/20 0.47
BCHE P06276 2/20 0.47
ACHE P22303 2/20 0.47
BACE1 P56817 2/20 0.47
SLC6A3 Q01959 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL588395 1.00 DRD4 (0.56) DRD4SIGMAR1ALDH1A1TACR1SLC6A2
Hydrochloric Acid SCHEMBL587710 0.99 DRD4 (0.55) DRD4SIGMAR1ALDH1A1TACR1SLC6A2
Hydrochloric Acid SCHEMBL588104 0.99 DRD4 (0.55) DRD4SIGMAR1ALDH1A1TACR1SLC6A2
Hydrochloric Acid SCHEMBL587711 0.99 DRD4 (0.55) DRD4SIGMAR1ALDH1A1TACR1SLC6A2
SCHEMBL8700468 0.89 ALDH1A1 (0.60) DRD4SIGMAR1ALDH1A1SLC6A2SLC6A4
SCHEMBL5543485 0.88 SIGMAR1 (0.45) DRD4SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL8567524 0.83 SLC6A2 (0.47) DRD4SIGMAR1ALDH1A1SLC6A2SLC6A4
SCHEMBL12089764 0.82 LMNA (0.45) SIGMAR1ALDH1A1
SCHEMBL8569626 0.81 SLC6A2 (0.45) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL11958053 0.81 DRD4 (0.56) DRD4SIGMAR1ALDH1A1TACR1BCHE

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 3 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

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 DRD4 281/4885SIGMAR1 47/4885ALDH1A1 347/4885

“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.