SCHEMBL6727852

SCHEMBL6727852

Cc1cccc(C(Cc2cccnc2)NC2=NCCC2)c1C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HTT P42858 1/20 0.35
P2RX7 Q99572 1/20 0.35
LMNA P02545 1/20 0.35
SCN8A Q9UQD0 1/20 0.34
NLRP3 Q96P20 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
C3AR1 Q16581 1/20 0.33

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
SCHEMBL6727602 0.88 ALDH1A1 (0.43) HSD17B10ALDH1A1POLBTAAR1CYP2D6
SCHEMBL6728092 0.88 POLB (0.45) HSD17B10ALDH1A1POLBTAAR1CYP2C19
SCHEMBL3236268 0.83 HSD17B10 (0.51) HSD17B10ALDH1A1POLBTAAR1CYP1A2
SCHEMBL10025870 0.80 TAAR1 (0.37) ALDH1A1TAAR1CYP1A2CYP2C19CYP3A4
SCHEMBL15310036 0.80 LMNA (0.38) TAAR1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL6727848 0.79 CYP2D6 (0.58) HSD17B10ALDH1A1POLBTAAR1CYP1A2
SCHEMBL1157247 0.72 GAA (0.48) CYP1A2CYP2C19CYP3A4CYP2D6CYP2C9
SCHEMBL15958673 0.72 P2RX7 (0.44) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL12637595 0.71 P2RX7 (0.43) ALDH1A1CYP1A2CYP2C19CYP3A4CYP2D6
SCHEMBL6727571 0.70 ALDH1A1 (0.41) HSD17B10ALDH1A1POLBTAAR1CYP1A2

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 6 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
WO-2010077586-A1 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) 2010-07-08 WO 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 HSD17B10 1986/4885ALDH1A1 559/4885POLB 1602/4885

“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.