SCHEMBL588594

SCHEMBL588594

Clc1ccc(Cc2ccc(N3CCNCC3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 6/20 0.79
HTR3E A5X5Y0 3/20 0.79
HTR3B O95264 3/20 0.79
HTR3A P46098 3/20 0.79
HTR3D Q70Z44 3/20 0.79
HTR3C Q8WXA8 3/20 0.79
SIGMAR1 Q99720 3/20 0.79
CETP P11597 7/20 0.71
LTA4H P09960 2/20 0.65
CHRM2 P08172 1/20 0.52
CHRM4 P08173 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR6 P50406 2/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
CYP2D6 P10635 1/20 0.50
THRB P10828 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
SCHEMBL894618 0.89 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL219742 0.89 ADRB1 (1.00) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL314621 0.87 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL708482 0.87 ADRB1 (0.96) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL6560078 0.84 SIGMAR1 (0.68) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7527162 0.83 ADRB1 (0.88) ADRB1HTR3EHTR3BHTR3AHTR3D
Methylethylamine SCHEMBL8390974 0.83 ADRB1 (0.73) ADRB1HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL2881381 0.82 SIGMAR1 (0.66) ADRB1HTR3EHTR3BHTR3AHTR3D
Alcohol SCHEMBL11585083 0.82 ADRB1 (0.79) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3045378 0.82 ADRB1 (0.52) ADRB1HTR3EHTR3BHTR3AHTR3D

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 382/4885HTR3E 232/4885HTR3B 122/4885

“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.