SCHEMBL6928871

SCHEMBL6928871

CN1CCCC1Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.50
CHRNA3 P32297 4/20 0.50
CHRNB2 P17787 2/20 0.50
CHRNA7 P36544 2/20 0.50
CHRNA4 P43681 2/20 0.50
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
ALDH1A1 P00352 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CHRNA5 P30532 1/20 0.38

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
SCHEMBL6928868 1.00 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL11327552 0.82 POLB (0.40) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL7554438 0.77 CHRNB4 (0.46) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL6591943 0.77 CHRNB2 (0.42) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL2401169 0.73 CARM1 (0.52) CHRNB2CHRNA7CHRNA4CARM1PRMT6
SCHEMBL4101485 0.72 CARM1 (0.45) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL13162978 0.70 KAT2B (0.56) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL4443892 0.70 KAT2B (0.56) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL7106481 0.70 KAT2B (0.56) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4
SCHEMBL19234649 0.69 CFD (0.36) CHRNB4CHRNA3CHRNB2CHRNA7CHRNA4

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
US-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-6515002-B2 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-6492403-B1 TREATING SYMPTOMS OF ACUTE OR CHRONIC DISORDER MEDIATED BY CLASSICAL PATHWAY OF COMPLEMENT CASCADE; PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-12-10 US disclosed
EP-1054886-B1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-09-04 EP disclosed
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US disclosed
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
EP-1054886-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-11-29 EP disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-1999040088-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS, IN PARTICULAR AS UROKINASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-08-12 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-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 CHRNB4 2531/4885CHRNA3 1890/4885CHRNB2 2853/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 CHRNB4 3921/4885CHRNA3 3273/4885CHRNB2 3934/4885

“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.