SCHEMBL1669591

SCHEMBL1669591

c1ccc2c(c1)CC[C@@H]2NC1=NCCC1

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.86
ADRA2B P18089 3/20 0.53
ADRA2C P18825 3/20 0.53
ADRA1A P35348 3/20 0.53
ADRA2A P08913 2/20 0.53
PDPK1 O15530 1/20 0.51
FADS1 O60427 1/20 0.48
SLC18A3 Q16572 1/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MAOA P21397 3/20 0.44
MAOB P27338 3/20 0.44
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
HTR6 P50406 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43
KCNN3 Q9UGI6 1/20 0.43
KDM1A O60341 1/20 0.42
EGFR P00533 1/20 0.41

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
SCHEMBL1669590 1.00 LMNA (0.86) LMNAADRA2BADRA2CADRA1AADRA2A
SCHEMBL1669553 0.92 LMNA (1.00) LMNAADRA2BADRA2CADRA1AADRA2A
SCHEMBL1669616 0.92 LMNA (1.00) LMNAADRA2BADRA2CADRA1AADRA2A
SCHEMBL1672625 0.78 LMNA (0.55) LMNAADRA2BADRA2CADRA1AADRA2A
SCHEMBL11903742 0.77 LMNA (0.57) LMNAADRA2BADRA2CADRA1AADRA2A
SCHEMBL31300377 0.73 FADS1 (0.69) LMNAADRA2BADRA2CADRA1AADRA2A
SCHEMBL9541314 0.73 FADS1 (0.69) LMNAADRA2BADRA2CADRA1AADRA2A
SCHEMBL12437174 0.73 ADRA1A (0.49) LMNAADRA2BADRA2CADRA1AADRA2A
SCHEMBL2215206 0.73 ADRA1A (0.49) LMNAADRA2BADRA2CADRA1AADRA2A
SCHEMBL1993959 0.73 LMNA (0.49) LMNAADRA2BADRA2CADRA1AADRA2A

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 LMNA 1209/4885ADRA2B 9/4885ADRA2C 3/4885
US-20120208821-A1 ALPHA ADRENERGIC RECEPTOR MODULATORS ADRB1, ADRB2, ADRA2C LMNA 1209/4885ADRA2B 9/4885ADRA2C 3/4885

“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.