SCHEMBL6728422

SCHEMBL6728422

Cc1cccc(C(Cc2cncc(C)c2C)NC2=NCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
ALDH1A1 P00352 2/20 0.37
CYP2D6 P10635 1/20 0.36
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
PKM P14618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
USP1 O94782 1/20 0.32
WDR48 Q8TAF3 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
CYP19A1 P11511 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
SCHEMBL6728201 0.90 KMT2A (0.40) POLBTAAR1ALDH1A1CYP2D6KMT2A
SCHEMBL15759979 0.84 POLB (0.46) POLBTAAR1ALDH1A1CYP2D6KMT2A
SCHEMBL1157460 0.80 ADRA2A (0.34) TAAR1CYP2D6USP1WDR48CCNT1
SCHEMBL6728095 0.74 POLB (0.44) POLBTAAR1ALDH1A1CYP2D6KMT2A
SCHEMBL6727956 0.74 KMT2A (0.41) POLBTAAR1ALDH1A1CYP2D6KMT2A
SCHEMBL12637686 0.70 CFB (0.36) TAAR1
SCHEMBL1157203 0.70 ADRA2A (0.33) TAAR1CCNT1CDK9
SCHEMBL6728755 0.67 KMT2A (0.43) POLBTAAR1ALDH1A1CYP2D6KMT2A
SCHEMBL6727942 0.66 POLB (0.48) POLBTAAR1ALDH1A1CYP2D6KMT2A
SCHEMBL1550476 0.66 POLB (0.57) POLBTAAR1ALDH1A1CYP2D6KMT2A

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

“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.