SCHEMBL104487

SCHEMBL104487

CC(C)Cc1cncn1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.39
PDE4A P27815 1/20 0.38
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
CYP2C9 P11712 2/20 0.37
CHRM3 P20309 2/20 0.37
LMNA P02545 2/20 0.37
CHRM2 P08172 1/20 0.37
CYP2A6 P11509 1/20 0.37
CNR1 P21554 1/20 0.37
HTR2A P28223 1/20 0.37
CYP2A13 Q16696 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 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
SCHEMBL2625071 0.83 HRH4 (0.40) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL13865703 0.83 HRH4 (0.40) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL12259434 0.83 CHRM5 (0.37) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL12849504 0.83 HRH4 (0.40) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL21183418 0.82 CHRM5 (0.38) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL13804165 0.82 CHRM5 (0.38) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL13003201 0.80 CHRM5 (0.36) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL4104460 0.79 TLR7 (0.38) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL15226802 0.79 CHRM5 (0.38) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL104952 0.78 CHRM5 (0.36) 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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239804-A1 FUROINDAZOLE DERIVATIVES AS ANTAGONISTS OR INHIBITORS OF GPR84 BAYER AKTIENGESELLSCHAFT (DE) 2024-07-18 US disclosed
US-20240239804-A1 FUROINDAZOLE DERIVATIVES AS ANTAGONISTS OR INHIBITORS OF GPR84 BAYER AKTIENGESELLSCHAFT (DE) 2024-07-18 US disclosed
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2024-02-29 US disclosed
US-20240026051-A1 CATIONIC CYCLIC AMINE AND AMPHIPATHIC TRANSFECTION REAGENTS MIRUS BIO LLC 2024-01-25 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS SATO PHARMACEUTICAL CO., LTD. (JP) 2023-10-26 US disclosed
US-11795196-B2 Mitochondria-targeting peptides STEALTH BIOTHERAPEUTICS INC. (US) 2023-10-24 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20230158025-A1 GALACTOKINASE INHIBITORS NATIONAL INSTITUTES OF HEALTH 2023-05-25 US disclosed
US-20110207706-A1 Methods for Treating Spinal Muscular Atrophy Using Tetracycline Compounds PARATEK PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20110130327-A1 Multi-Arm Amines and Uses Thereof MARINA BIOTECH, INC. (US) 2011-06-02 US disclosed
US-20110124643-A1 PYRIDINOPYRIDINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-05-26 US disclosed
US-20110124643-A1 PYRIDINOPYRIDINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-05-26 US disclosed
US-7935687-B2 Methods for treating spinal muscular atrophy using tetracycline compounds PARATEK PHARMACEUTICALS, INC. (US) 2011-05-03 US disclosed
US-20110098236-A1 DIAMIDE INHIBITORS OF CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-20110098236-A1 DIAMIDE INHIBITORS OF CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2011-04-28 US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 WO disclosed
US-20090118269-A1 Methods for Treating Spinal Muscular Atrophy Using Tetracycline Compounds PARATEK PHARMACEUTICALS, INC. 2009-05-07 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 (11 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-20090118269-A1 Methods for Treating Spinal Muscular Atrophy Using Tetracycline Compounds SMN1; SMN2, MTPN, TUBB2A CHRM5 3721/4885PDE4A 997/4885CHRM4 3633/4885
US-20110130327-A1 Multi-Arm Amines and Uses Thereof SNRPE, SNRPA, ADAR CHRM5 3415/4885PDE4A 960/4885CHRM4 3420/4885
US-20230158025-A1 GALACTOKINASE INHIBITORS GALK1, GCK, GCKR CHRM5 4013/4885PDE4A 2099/4885CHRM4 3349/4885
US-20110207706-A1 Methods for Treating Spinal Muscular Atrophy Using Tetracycline Compounds SMN1; SMN2, MTPN, TUBB2A CHRM5 3721/4885PDE4A 997/4885CHRM4 3633/4885
US-11795196-B2 Mitochondria-targeting peptides HSPE1, TFAM, TNNI3 CHRM5 4594/4885PDE4A 2004/4885CHRM4 4456/4885
US-20240026051-A1 CATIONIC CYCLIC AMINE AND AMPHIPATHIC TRANSFECTION REAGENTS SLC7A1, PARN, PARG CHRM5 4340/4885PDE4A 939/4885CHRM4 3626/4885
US-20110098236-A1 DIAMIDE INHIBITORS OF CYTOCHROME P450 CYP2E1, CYP1A2, CYP3A43 CHRM5 2865/4885PDE4A 441/4885CHRM4 3199/4885
US-20230339937-A1 CONDENSED RING COMPOUNDS THAT INHIBIT H-PGDS HPGDS, PTGS1, PTGIS CHRM5 4142/4885PDE4A 1695/4885CHRM4 4298/4885
US-20110124643-A1 PYRIDINOPYRIDINONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF FLT3, PDGFRB, PDGFRA CHRM5 2712/4885PDE4A 935/4885CHRM4 3509/4885
US-20240239804-A1 FUROINDAZOLE DERIVATIVES AS ANTAGONISTS OR INHIBITORS OF GPR84 GPR84, GPR88, FFAR1 CHRM5 273/4885PDE4A 2483/4885CHRM4 299/4885
US-20240066029-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRM5 3371/4885PDE4A 553/4885CHRM4 2527/4885

“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.