SCHEMBL588544

SCHEMBL588544

Clc1ccc(N2CCNCC2Cc2ccccc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.81
SLC6A3 Q01959 13/20 0.81
SLC6A2 P23975 12/20 0.81
CYP2D6 P10635 2/20 0.59
MITF O75030 1/20 0.44
CETP P11597 1/20 0.43
ADRB1 P08588 1/20 0.43
ALDH1A1 P00352 1/20 0.43
DRD4 P21917 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL588656 1.00 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2CYP2D6MITF
Hydrochloric Acid SCHEMBL588157 0.99 SLC6A4 (0.79) SLC6A4SLC6A3SLC6A2CYP2D6MITF
Hydrochloric Acid SCHEMBL588156 0.99 SLC6A4 (0.79) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL4649492 0.94 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2CYP2D6MITF
Fumaric Acid SCHEMBL587844 0.91 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP2D6ADRB1
Fumaric Acid SCHEMBL587845 0.91 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP2D6ADRB1
Fumaric Acid SCHEMBL588240 0.91 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CYP2D6ADRB1
SCHEMBL2951055 0.90 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2CYP2D6MITF
SCHEMBL28761762 0.86 SLC6A4 (0.60) SLC6A4SLC6A3SLC6A2CYP2D6CETP
SCHEMBL5543652 0.86 SLC6A4 (0.81) SLC6A4SLC6A3SLC6A2CYP2D6MITF

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257544-B1 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMA (US) 2012-07-25 EP disclosed
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
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-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
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
WO-2009062036-A2 PROCESSES FOR PREPARING LEVOCETIRIZINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF DR. REDDY'S LABORATORIES LTD. (IN) 2009-05-14 WO 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
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
EP-1257544-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE Vertex Pharmaceuticals Incorporated (US) 2002-11-20 EP disclosed
WO-2001058891-A2 PIPERAZINE AND PIPERIDINE DERIVATIVES FOR TREATMENT OR PREVENTION OF NEURONAL DAMAGE VERTEX PHARMACEUTICALS INCORPORATED (US) 2001-08-16 WO disclosed
US-5792770-A ADMINISTERING AS SEDATIVE, TRANQUILIZER, ANXIOLYTIC AGENT U C B S.A. (BE) 1998-08-11 US disclosed
US-5792770-A ADMINISTERING AS SEDATIVE, TRANQUILIZER, ANXIOLYTIC AGENT U C B S.A. (BE) 1998-08-11 US disclosed
US-5789409-A ANTIINFLAMMATORY AGENTS SENJU PHARMACEUTICAL CO., LTD. (JP) 1998-08-04 US disclosed
US-5789197-A GENETIC ENGINEERING E. R. SQUIBB & SONS, INC. (US) 1998-08-04 US disclosed
US-5703082-A ANTIHISTAMINE; TRANQUILIZERS U C B S.A. (BE) 1997-12-30 US disclosed
US-5703082-A ANTIHISTAMINE; TRANQUILIZERS U C B S.A. (BE) 1997-12-30 US disclosed
US-5698558-A Methods for treating allergic disorders using optically pure (-) cetirizine SEPRACOR, INC. (US) 1997-12-16 US disclosed
US-5683998-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, ANTIPAF AGENTS TORAY INDUSTRIES, INC. (JP) 1997-11-04 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 SLC6A4 1026/4885SLC6A3 3333/4885SLC6A2 3254/4885

“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.