SCHEMBL6728095

SCHEMBL6728095

Cc1ccccc1CC(NC1=NCCC1)c1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.40
ALDH1A1 P00352 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.34
F2 P00734 1/20 0.34
RAB9A P51151 1/20 0.34
AURKA O14965 1/20 0.34
CDK2 P24941 1/20 0.34
GHSR Q92847 3/20 0.33
CNR2 P34972 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
SCHEMBL15759979 0.89 POLB (0.46) POLBTAAR1KMT2ACYP2D6ALDH1A1
SCHEMBL6728201 0.85 KMT2A (0.40) POLBTAAR1KMT2ACYP2D6ALDH1A1
SCHEMBL6727942 0.84 POLB (0.48) POLBTAAR1KMT2ACYP2D6ALDH1A1
SCHEMBL6728755 0.83 KMT2A (0.43) POLBTAAR1KMT2ACYP2D6ALDH1A1
SCHEMBL6727971 0.81 KMT2A (0.39) POLBTAAR1KMT2ACYP2D6ALDH1A1
SCHEMBL6727956 0.80 KMT2A (0.41) POLBTAAR1KMT2ACYP2D6ALDH1A1
SCHEMBL3418087 0.79 LMNA (0.46) POLBTAAR1KMT2ACYP2D6ALDH1A1
SCHEMBL3433520 0.79 CFB (0.41) TAAR1CYP2D6ADRA2AADRA2BADRA2C
SCHEMBL3431955 0.79 WDR5 (0.43) KMT2ACYP2D6ADRA2AADRA2BADRA2C
SCHEMBL6728164 0.77 KMT2A (0.43) POLBTAAR1KMT2ACYP2D6ALDH1A1

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 POLB 1602/4885TAAR1 90/4885KMT2A 2580/4885

“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.