SCHEMBL4104460

SCHEMBL4104460

CC(C)CCc1cncn1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.38
CHRM5 P08912 3/20 0.37
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CYP2C9 P11712 2/20 0.36
CHRM3 P20309 2/20 0.36
LMNA P02545 2/20 0.36
CHRM2 P08172 1/20 0.36
CYP2A6 P11509 1/20 0.36
CNR1 P21554 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2A13 Q16696 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
NFKB1 P19838 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
SCHEMBL16869544 0.89 CHRM5 (0.36) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL10425365 0.83 CHRM5 (0.43) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL18782964 0.82 CHRM5 (0.34) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL18557356 0.82 CHRM4 (0.35) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL18783022 0.82 CHRM4 (0.35) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL104487 0.79 CHRM5 (0.39) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL20747218 0.78 CHRM5 (0.34) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL4300091 0.77
SCHEMBL14415978 0.77 HRH4 (0.41) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL20690997 0.77 CHRM5 (0.35) CHRM5CHRM4CHRM1CYP2C9CHRM3

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285310-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM ARES CAPITAL CORPORATION, AS AGENT 2023-09-14 US disclosed
US-20230285310-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM ARES CAPITAL CORPORATION, AS AGENT 2023-09-14 US disclosed
WO-2023154818-A1 MUCOSAL ADMINISTRATION METHODS AND FORMULATIONS MODERNATX, INC. (US) 2023-08-17 WO disclosed
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors STORM THERAPEUTICS LIMITED (GB) 2023-08-15 US disclosed
WO-2023086465-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM MODERNATX, INC. (US) 2023-05-19 WO disclosed
WO-2023009422-A1 PROCESSES FOR PREPARING LIPID NANOPARTICLE COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM MODERNATX, INC. (US) 2023-02-02 WO disclosed
EP-2451812-B1 SUBSTITUTED PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2017-11-08 EP disclosed
US-9796724-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-9796724-B2 Substituted pyrazolo[1,5-a]pyrimidine compounds as Trk kinase inhibitors ARRAY BIOPHARMA, INC. (US) 2017-10-24 US disclosed
US-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 US disclosed
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-11 US disclosed
US-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles MERCK & CO., INC. 2009-11-19 US disclosed
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 US disclosed
US-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2009-03-19 US disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 US disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 US disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 US disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 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 (9 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-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles PTGES, PTGS1, PTGES2 TLR7 2025/4885CHRM5 1166/4885CHRM4 2930/4885
US-20100286131-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2B TLR7 2997/4885CHRM5 4571/4885CHRM4 4854/4885
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A TLR7 1974/4885CHRM5 2519/4885CHRM4 2159/4885
US-20090192158-A1 Methods for Treating or Preventing Neoplasias GSTO1, PTGS1, PTGES TLR7 3911/4885CHRM5 3020/4885CHRM4 3304/4885
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 TLR7 2813/4885CHRM5 1600/4885CHRM4 3274/4885
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 TLR7 1846/4885CHRM5 1025/4885CHRM4 2829/4885
US-11725010-B2 Polyheterocyclic compounds as METTL3 inhibitors METTL3, DIMT1, TPMT TLR7 2776/4885CHRM5 4103/4885CHRM4 4626/4885
US-20230285310-A1 COMPOSITIONS FOR THE DELIVERY OF PAYLOAD MOLECULES TO AIRWAY EPITHELIUM CFTR, TSLP, MTREX TLR7 405/4885CHRM5 4571/4885CHRM4 4218/4885
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors PTGS1, PTGES, PTGES2 TLR7 1846/4885CHRM5 1025/4885CHRM4 2829/4885

“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.