SCHEMBL588593

SCHEMBL588593

Cc1c(-c2ccc(Cl)cc2)cccc1N1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.58
HTR7 P34969 8/20 0.54
HTR1A P08908 6/20 0.54
HTR6 P50406 5/20 0.54
HTR2A P28223 3/20 0.54
HTR5A P47898 2/20 0.54
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
HTR3A P46098 4/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C9 P11712 2/20 0.49
HTR2B P41595 1/20 0.49
DRD4 P21917 1/20 0.48
HTR2C P28335 1/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47

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
SCHEMBL6560082 0.86 HTR7 (0.73) ADRB1HTR7HTR1AHTR6HTR2A
SCHEMBL1077363 0.78 ADRB1 (0.70) ADRB1HTR7HTR1AHTR6HTR2A
Hydrochloric Acid SCHEMBL4662651 0.76 ADRB1 (0.68) ADRB1HTR7HTR1AHTR6HTR2A
SCHEMBL29699369 0.74 ADRB1 (1.00) ADRB1HTR7HTR1AHTR6HTR2A
SCHEMBL218837 0.74 ADRB1 (1.00) ADRB1HTR7HTR1AHTR6HTR2A
SCHEMBL4915187 0.74 HTR7 (0.73) ADRB1HTR7HTR1AHTR6HTR2A
Iodide SCHEMBL11457680 0.73 ADRB1 (0.96) ADRB1HTR7HTR1AHTR6HTR2A
Hydrochloric Acid SCHEMBL1894847 0.73 ADRB1 (0.96) ADRB1HTR7HTR1AHTR6DRD2
Hydrochloric Acid SCHEMBL27850954 0.73 ADRB1 (0.96) ADRB1HTR7HTR1AHTR6DRD2
Piperazine SCHEMBL27593403 0.73 ADRB1 (0.96) ADRB1HTR7HTR1AHTR6HTR2A

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 claimed
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 claimed
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 claimed
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 claimed
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 claimed

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 ADRB1 382/4885HTR7 152/4885HTR1A 135/4885

“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.