SCHEMBL3611802

SCHEMBL3611802

Clc1ccc([C@H](c2ccccc2)N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.78
CHRM2 P08172 4/20 0.78
ADRA2A P08913 4/20 0.78
ADRA1A P35348 4/20 0.78
DRD3 P35462 4/20 0.78
HRH1 P35367 3/20 0.78
OPRK1 P41145 3/20 0.78
CHRM1 P11229 3/20 0.78
DRD1 P21728 3/20 0.78
SLC6A2 P23975 3/20 0.78
SLC6A4 P31645 3/20 0.78
SLC6A3 Q01959 3/20 0.78
CYP2D6 P10635 3/20 0.78
CYP3A4 P08684 2/20 0.78
ADORA3 P0DMS8 2/20 0.78
CNR1 P21554 2/20 0.78
GHSR Q92847 2/20 0.78
CYP2C19 P33261 2/20 0.78
USP2 O75604 2/20 0.78
DRD2 P14416 2/20 0.78

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
SCHEMBL588110 1.00 KCNH2 (0.78) KCNH2CHRM2ADRA2AADRA1ADRD3
SCHEMBL588111 1.00 KCNH2 (0.78) KCNH2CHRM2ADRA2AADRA1ADRD3
Hydrochloric Acid SCHEMBL588103 0.98 LMNA (0.79) KCNH2CHRM2ADRA2AADRA1ADRD3
Hydrochloric Acid SCHEMBL587709 0.98 LMNA (0.79) KCNH2CHRM2ADRA2AADRA1ADRD3
Hydrochloric Acid SCHEMBL588128 0.98 LMNA (0.79) KCNH2CHRM2ADRA2AADRA1ADRD3
SCHEMBL12464946 0.97 KCNH2 (0.80) KCNH2CHRM2ADRA2AADRA1ADRD3
SCHEMBL7311276 0.92 ATM (0.84) KCNH2CHRM2ADRA2AADRA1ADRD3
Hydrochloric Acid SCHEMBL16226937 0.90 ATM (0.82) KCNH2CHRM2ADRA2AADRA1ADRD3
SCHEMBL9720751 0.90 KCNH2 (0.71) KCNH2CHRM2ADRA2AADRA1ADRD3
Meclizine SCHEMBL4649 0.88 KCNH2 (1.00) KCNH2CHRM2ADRA2AADRA1ADRD3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KCNH2 258/4885CHRM2 88/4885ADRA2A 440/4885

“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.