SCHEMBL1670264

SCHEMBL1670264

Cc1ccc2ccccc2c1NC1=NCCC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.57
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CYP1A2 P05177 2/20 0.43
ALOX15 P16050 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.40
CYP2A6 P11509 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL6400 0.79 POLB (0.87) POLBADRA2AADRA2BADRA2CCYP1A2
SCHEMBL1705487 0.77 TSHR (0.58) CYP1A2MAPTTSHRCYP2A6RAB9A
SCHEMBL1669736 0.75 ADRA2A (0.61) POLBADRA2AADRA2BADRA2CCYP1A2
SCHEMBL10854867 0.73 POLB (0.69) POLBADRA2AADRA2BADRA2CCYP1A2
SCHEMBL1923154 0.72 TSHR (0.52) CYP1A2ALOX15MAPTTSHRCYP2A6
SCHEMBL1923153 0.72 TSHR (0.52) POLBCYP1A2ALOX15TSHRCYP2A6
SCHEMBL6021 0.71 ADRA2A (0.65) POLBADRA2AADRA2BADRA2CCYP1A2
SCHEMBL1921527 0.68 TSHR (0.47) POLBCYP1A2ALOX15TSHRCYP2A6
SCHEMBL9806709 0.68 TSHR (0.56) CYP1A2MAPTTSHRCYP2A6RAB9A
SCHEMBL22848171 0.67 ALDH1A1 (0.52) CYP1A2MAPTTSHRCYP2A6RAB9A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3584237-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2020-12-09 EP claimed
EP-2486009-B1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2019-08-21 EP claimed
US-20150209351-A1 Alpha Adrenergic Receptor Modulators ALLERGAN, INC. 2015-07-30 US claimed
US-9040532-B2 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2015-05-26 US claimed
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC (US) 2012-08-16 US claimed
EP-2486009-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-15 EP claimed
WO-2011044229-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-14 WO claimed
EP-3584237-B1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2020-12-09 EP disclosed
EP-2486009-B1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN INC (US) 2019-08-21 EP disclosed
US-9522150-B2 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2016-12-20 US disclosed
US-20150209351-A1 Alpha Adrenergic Receptor Modulators ALLERGAN, INC. 2015-07-30 US disclosed
US-9040532-B2 Alpha adrenergic receptor modulators ALLERGAN, INC. (US) 2015-05-26 US disclosed
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC (US) 2012-08-16 US disclosed
EP-2486009-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS Allergan, Inc. (US) 2012-08-15 EP disclosed
WO-2011044229-A1 2H-PYRROL-5-AMINE DERIVATIVES AS ALPHA ADRENERGIC RECEPTOR MODULATORS ALLERGAN, INC. (US) 2011-04-14 WO 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 (2 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-20150209351-A1 Alpha Adrenergic Receptor Modulators ADRB1, ADRB2, ADRA2C POLB 2468/4885ADRA2A 5/4885ADRA2B 9/4885
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ADRB1, ADRB2, ADRA2C POLB 2468/4885ADRA2A 5/4885ADRA2B 9/4885

“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.