SCHEMBL6727671

SCHEMBL6727671

Clc1cccc(C(Cc2ccccc2Br)NC2=NCCC2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
POLB P06746 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2D6 P10635 1/20 0.33
MEN1 O00255 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
CTSA P10619 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
GHSR Q92847 1/20 0.30

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
SCHEMBL6728514 0.83 ADRA2A (0.45) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6727683 0.82 KMT2A (0.41) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6727948 0.82 KMT2A (0.41) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6728143 0.81 ADRA2A (0.36) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL4111907 0.80 ADRA2A (0.42) ADRA2AADRA2BADRA2CTAAR1KMT2A
SCHEMBL6728673 0.79 KMT2A (0.40) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6727571 0.79 ALDH1A1 (0.41) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6728391 0.79 ADRA2A (0.43) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6728051 0.78 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6727985 0.78 ALDH1A1 (0.43) ADRA2AADRA2BADRA2CPOLBTAAR1

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-2370430-B1 N-(1-PHENYL-2-ARYLETHYL)-4,5-DIHYDRO-3H-PYRROL-2-AMINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B OR ALPHA2B AND ALPHA2C ADRENOCEPTORS ALLERGAN INC (US) 2014-06-04 EP disclosed
US-8183414-B2 N-(1-phenyl-2-arylethyl)-4,5-dihydro-2H-pyrrol-5-amine compounds as subtype selective modulators of ALPHA2B or ALPHA2B and ALPHA2C adrenoceptors ALLERGAN, INC. (US) 2012-05-22 US disclosed
US-8183414-B2 N-(1-phenyl-2-arylethyl)-4,5-dihydro-2H-pyrrol-5-amine compounds as subtype selective modulators of ALPHA2B or ALPHA2B and ALPHA2C adrenoceptors ALLERGAN, INC. (US) 2012-05-22 US disclosed
US-20100145061-A1 N-(1-PHENYL-2-ARYLETHYL)-4,5-DIHYDRO-2H-PYRROL-5-AMINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B OR ALPHA2B AND ALPHA2C ADRENOCEPTORS ALLERGAN, INC. (US) 2010-06-10 US disclosed
US-20100145061-A1 N-(1-PHENYL-2-ARYLETHYL)-4,5-DIHYDRO-2H-PYRROL-5-AMINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B OR ALPHA2B AND ALPHA2C ADRENOCEPTORS ALLERGAN, INC. (US) 2010-06-10 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-20100145061-A1 N-(1-PHENYL-2-ARYLETHYL)-4,5-DIHYDRO-2H-PYRROL-5-AMINE COMPOUNDS AS SUBTYPE SELECTIVE MODULATORS OF ALPHA2B OR ALPHA2B AND ALPHA2C ADRENOCEPTORS ADRA2B, ADRB2, ADRA2C ADRA2A 6/4885ADRA2B 1/4885ADRA2C 3/4885

“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.