SCHEMBL6727602

SCHEMBL6727602

Cc1cccc(C(Cc2ccncc2)NC2=NCCC2)c1C

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
POLB P06746 3/20 0.39
TAAR1 Q96RJ0 1/20 0.38
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
NISCH Q9Y2I1 1/20 0.34
CYP2D6 P10635 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL6728092 0.91 POLB (0.45) ALDH1A1POLBTAAR1HSD17B10SMN1; SMN2
SCHEMBL6727571 0.82 ALDH1A1 (0.41) ALDH1A1POLBTAAR1HSD17B10SMN1; SMN2
SCHEMBL6727590 0.81 ADRA2A (0.44) ALDH1A1POLBTAAR1HSD17B10SMN1; SMN2
SCHEMBL6727650 0.80 ALDH1A1 (0.39) ALDH1A1POLBTAAR1HSD17B10NISCH
SCHEMBL15310108 0.78 TAAR1 (0.39) POLBTAAR1NISCHCYP2D6GAA
SCHEMBL6728371 0.78 POLB (0.52) ALDH1A1POLBTAAR1HSD17B10NISCH
SCHEMBL6728514 0.72 ADRA2A (0.45) ALDH1A1POLBTAAR1HSD17B10SMN1; SMN2
SCHEMBL6727927 0.72 ADRA2A (0.47) ALDH1A1POLBTAAR1HSD17B10SMN1; SMN2
SCHEMBL3434326 0.71 HTR1D (0.46) TAAR1NISCHADRA2C
SCHEMBL3236268 0.70 HSD17B10 (0.51) ALDH1A1POLBTAAR1HSD17B10CYP2D6

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 ALDH1A1 559/4885POLB 1602/4885TAAR1 90/4885

“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.