SCHEMBL6727942

SCHEMBL6727942

Clc1cccc(C(Cc2ccccc2)NC2=NCCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.44
CYP2D6 P10635 2/20 0.43
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR2 P34972 1/20 0.38
KCNN3 Q9UGI6 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1550476 0.87 POLB (0.57) POLBTAAR1KMT2AALDH1A1CYP2D6
SCHEMBL6728164 0.85 KMT2A (0.43) POLBTAAR1KMT2AALDH1A1CYP2D6
SCHEMBL6728095 0.84 POLB (0.44) POLBTAAR1KMT2AALDH1A1CYP2D6
SCHEMBL6727956 0.83 KMT2A (0.41) POLBTAAR1KMT2AALDH1A1CYP2D6
SCHEMBL11171507 0.82 CYP2D6 (0.59) POLBTAAR1ALDH1A1CYP2D6KDM4E
Hydrochloric Acid SCHEMBL11166973 0.81 CYP2D6 (0.58) POLBTAAR1ALDH1A1CYP2D6KDM4E
SCHEMBL6728755 0.81 KMT2A (0.43) POLBTAAR1KMT2AALDH1A1CYP2D6
SCHEMBL6728371 0.80 POLB (0.52) POLBTAAR1KMT2AALDH1A1CYP2D6
SCHEMBL6728514 0.79 ADRA2A (0.45) POLBTAAR1KMT2AALDH1A1CYP2D6
SCHEMBL6727927 0.79 ADRA2A (0.47) POLBTAAR1KMT2AALDH1A1CYP2D6

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.