SCHEMBL6728328

SCHEMBL6728328

Fc1c(Cl)cccc1C(Cc1ccccc1)NC1=NCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
POLB P06746 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP2D6 P10635 1/20 0.36
LMNA P02545 3/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 3/20 0.34
NISCH Q9Y2I1 1/20 0.34
HSD17B10 Q99714 2/20 0.34
CFD P00746 1/20 0.34
MEN1 O00255 1/20 0.32
GAA P10253 2/20 0.32
GFER P55789 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
CTSA P10619 1/20 0.31
F11 P03951 1/20 0.31

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 0.89 ADRA2A (0.45) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6727927 0.89 ADRA2A (0.47) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6727985 0.84 ALDH1A1 (0.43) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6727590 0.81 ADRA2A (0.44) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6727571 0.80 ALDH1A1 (0.41) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL6728092 0.79 POLB (0.45) ADRA2AADRA2BADRA2CPOLBTAAR1
SCHEMBL3432514 0.78 ADRA2A (0.44) ADRA2AADRA2BADRA2CTAAR1CYP2D6
SCHEMBL3415134 0.78 MAPT (0.44) POLBTAAR1ALDH1A1LMNAMAPT
SCHEMBL3411854 0.78 ADRA2A (0.37) ADRA2AADRA2BADRA2CPOLBCYP2D6
SCHEMBL6728673 0.78 KMT2A (0.40) 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.