SCHEMBL8217779

SCHEMBL8217779

CCC(C)Cc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FDPS P14324 1/20 0.50
PKM P14618 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
TBXAS1 P24557 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CHRNA7 P36544 2/20 0.46
LMNA P02545 1/20 0.43

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
SCHEMBL18934268 0.85 TDP1 (0.51) CHRNB2CHRNA4TDP1L3MBTL1FDPS
SCHEMBL4961122 0.83 FDPS (0.43) CHRNB2CHRNA4TDP1L3MBTL1FDPS
SCHEMBL2420469 0.83 FDPS (0.53) CHRNB2CHRNA4TDP1L3MBTL1FDPS
SCHEMBL19737206 0.83 CHRNA7 (0.53) CHRNB2CHRNA4TDP1L3MBTL1FDPS
SCHEMBL7288023 0.83 CHRNA7 (0.53) CHRNB2CHRNA4TDP1L3MBTL1FDPS
SCHEMBL24924148 0.83 FDPS (0.49) CHRNB2CHRNA4TDP1L3MBTL1FDPS
SCHEMBL14732858 0.83 FDPS (0.53) CHRNB2CHRNA4TDP1L3MBTL1FDPS
SCHEMBL14459386 0.82 CHRNB2 (0.52) CHRNB2CHRNA4TDP1L3MBTL1FDPS
SCHEMBL103883 0.82 FDPS (0.55) CHRNB2CHRNA4TDP1L3MBTL1FDPS
SCHEMBL22857531 0.81 TDP1 (0.56) CHRNB2CHRNA4TDP1L3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318294-B1 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS (JP) 1994-12-28 EP claimed
EP-0159769-B1 ELECTROCHEMICAL OXIDATION OF PYRIDINE BASES REILLY INDUSTRIES, INC. (US) 1991-03-27 EP claimed
EP-0318294-A2 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS CO., LTD (JP) 1989-05-31 EP claimed
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2024-06-25 US disclosed
EP-3686197-B1 2-SUBSTITUTED PYRAZOLE AMINO-4-SUBSTITUTED AMINO-5-PYRIMIDINE FORMAMIDE COMPOUND, COMPOSITION, AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-06-21 EP disclosed
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS ALCON INC. (CH) 2023-04-27 US disclosed
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2023-01-31 US disclosed
US-11559590-B2 Granzyme B directed imaging and therapy THE GENERAL HOSPITAL CORPORATION (US) 2023-01-24 US disclosed
US-11382916-B2 Fused heterotricyclic organic compounds, pharmaceutical compositions, and medical uses thereof ALEVERE MEDICAL CORPORATION (US) 2022-07-12 US disclosed
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds AERIE PHARMACEUTICALS, INC. (US) 2022-04-26 US disclosed
WO-2021237112-A1 NOTCH INHIBITORS AND USES THEREOF STEMSYNERGY THERAPEUTICS, INC. (US) 2021-11-25 WO disclosed
WO-2008033460-A2 TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS SCHERING CORPORATION (US) 2008-03-20 WO disclosed
WO-2008033456-A1 SPIRO-CONDENSED AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABILISM SCHERING CORPORATION (US) 2008-03-20 WO disclosed
EP-0928792-B1 Bicyclic(3.1.0)hexanes and related compounds PFIZER PROD INC (US) 2006-04-19 EP disclosed
EP-0318294-B1 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS (JP) 1994-12-28 EP disclosed
US-5294720-A Viricides THE DUPONT MERCK PHARMACEUTICAL CO. (US) 1994-03-15 US disclosed
EP-0532693-A1 1,4-DIAMINO-2,3-DIHYDROXYBUTANES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-03-24 EP disclosed
US-5125930-A Polymeric cationic dyes including a quaternized pyridinium group NIPPON CHEMICAL WORKS CO., LTD. (JP) 1992-06-30 US disclosed
EP-0318294-A2 Dimeric and trimeric cationic dyes NIPPON CHEMICAL WORKS CO., LTD (JP) 1989-05-31 EP disclosed
US-4001257-A OXIDATION, NITRIC ACID NIPPON SODA COMPANY LIMITED (JA) 1977-01-04 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 (6 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-11559590-B2 Granzyme B directed imaging and therapy GZMB, CTSB, PRF1 CHRNB2 1270/4885CHRNA4 3874/4885TDP1 1609/4885
US-11566015-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R CHRNB2 111/4885CHRNA4 311/4885TDP1 4753/4885
US-12018012-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CHRNB2 4364/4885CHRNA4 4461/4885TDP1 710/4885
US-11312700-B2 Aryl cyclopropyl-amino-isoquinolinyl amide compounds UACA, HRAS, MYLK CHRNB2 4364/4885CHRNA4 4461/4885TDP1 710/4885
US-11382916-B2 Fused heterotricyclic organic compounds, pharmaceutical compositions, and medical uses thereof FABP4, HSD17B4, LIPC CHRNB2 3991/4885CHRNA4 3471/4885TDP1 1153/4885
US-20230130470-A1 ARYL CYCLOPROPYL-AMINO-ISOQUINOLINYL AMIDE COMPOUNDS UACA, HRAS, MYLK CHRNB2 4364/4885CHRNA4 4461/4885TDP1 710/4885

“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.