SCHEMBL2735673

SCHEMBL2735673

Cc1ccc(C(C)N2CCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.54
CHRM1 P11229 5/20 0.54
CYP2D6 P10635 1/20 0.54
SLC6A3 Q01959 6/20 0.47
SLC6A2 P23975 5/20 0.47
SLC6A4 P31645 3/20 0.47
MC4R P32245 1/20 0.47
TSHR P16473 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
LTA4H P09960 1/20 0.45
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADRA2B P18089 1/20 0.41
DRD3 P35462 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ADRB2 P07550 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL16270668 1.00 CHRM2 (0.54) CHRM2CHRM1CYP2D6SLC6A3SLC6A2
SCHEMBL31046804 0.96 CYP2D6 (0.54) CHRM2CHRM1CYP2D6SLC6A3SLC6A2
SCHEMBL16982012 0.84 CYP2D6 (0.56) CHRM2CHRM1CYP2D6MC4RLTA4H
SCHEMBL13283877 0.82 HSD11B1 (0.52) CHRM2CHRM1CYP2D6SLC6A3SLC6A2
SCHEMBL15318609 0.82 CHRM2 (0.58) CHRM2CHRM1CYP2D6SLC6A2SLC6A4
SCHEMBL3576037 0.81 CYP2D6 (0.52) CHRM2CHRM1CYP2D6SLC6A3MC4R
SCHEMBL13247637 0.81 CYP2D6 (0.52) CHRM2CHRM1CYP2D6SLC6A3MC4R
SCHEMBL3041069 0.81 CYP2D6 (0.52) CHRM2CHRM1CYP2D6SLC6A3SLC6A2
SCHEMBL6872559 0.81 CYP2D6 (0.52) CHRM2CHRM1CYP2D6MC4RLTA4H
SCHEMBL2491857 0.80 OPRM1 (0.51) CHRM2CHRM1CYP2D6SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109641878-A DIPROVOCIM: a new class of effective TLR agonist 斯克里普斯研究学院 2019-04-16 CN disclosed
US-9169246-B2 Pyrazoloquinolinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-10-27 US disclosed
EP-2262804-B1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYL-IMIDAZO[L,2- A] PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2014-12-03 EP disclosed
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-21 US disclosed
US-8148370-B2 Polysubstituted derivatives of 2-aryl-6-phenyl-imidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-03 US disclosed
US-8148370-B2 Polysubstituted derivatives of 2-aryl-6-phenyl-imidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-03 US disclosed
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-03-01 US disclosed
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2012-03-01 US disclosed
US-8088765-B2 Polysubstituted derivatives of 6-heteroarylimidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-8088765-B2 Polysubstituted derivatives of 6-heteroarylimidazo[1,2-a]pyridines, and preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-01-03 US disclosed
US-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-17 US disclosed
US-20110065699-A1 POLYSUBSTITUTED DERIVATIVES OF 2-ARYL-6-PHENYL-IMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-17 US disclosed
US-20110065699-A1 POLYSUBSTITUTED DERIVATIVES OF 2-ARYL-6-PHENYL-IMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-17 US disclosed
US-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-17 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 (4 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-20110065700-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF CYP4X1, HAX1, JAK2 CHRM2 809/4885CHRM1 299/4885CYP2D6 29/4885
US-20120053202-A1 POLYSUBSTITUTED DERIVATIVES OF 6-HETEROARYLIMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF CYP4X1, HAX1, JAK2 CHRM2 809/4885CHRM1 299/4885CYP2D6 29/4885
US-20140235616-A1 PYRAZOLOQUINOLINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CYP11B2, CYP1A2, COQ8A CHRM2 349/4885CHRM1 139/4885CYP2D6 59/4885
US-20110065699-A1 POLYSUBSTITUTED DERIVATIVES OF 2-ARYL-6-PHENYL-IMIDAZO[1,2-a]PYRIDINES, AND PREPARATION AND THERAPEUTIC USE THEREOF ABL1, JAK2, REN CHRM2 1276/4885CHRM1 984/4885CYP2D6 39/4885

“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.