SCHEMBL261863

SCHEMBL261863

c1c[nH]c(N2CCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 1/20 0.35
DAO P14920 2/20 0.35
JAK3 P52333 2/20 0.35
KEAP1 Q14145 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
CHKA P35790 1/20 0.33

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
SCHEMBL3833537 0.82 LMNA (0.48) NPC1RAB9AALDH1A1MAPK1KDM4E
SCHEMBL4491073 0.82 ADRB1 (0.48) ALDH1A1KDM4EDRD2DRD3TP53
SCHEMBL28583221 0.80 CHRNB2 (0.38) GFERNPC1RAB9AALDH1A1TSHR
SCHEMBL7189439 0.78 HDAC8 (0.34) KDM4EMAPTDAODRD2DRD4
SCHEMBL28935502 0.76 CHRNA7 (0.52) GFERNPC1RAB9AALDH1A1KDM4E
Indole SCHEMBL28870343 0.74 AHR (0.61) NPC1ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL2296512 0.71 BPTF (0.31) DAO
SCHEMBL8309804 0.70
SCHEMBL9234686 0.70 MAPT (0.46) GFERNPC1RAB9AALDH1A1MAPK1
SCHEMBL28807259 0.69 MAPT (0.49) GFERNPC1RAB9AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 US claimed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 US claimed
US-20130109713-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2013-05-02 US claimed
WO-2011163610-A2 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-29 WO claimed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 WO claimed
WO-2000032598-A9 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC (US) 2000-11-30 WO claimed
WO-2000032598-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC. (US) 2000-06-08 WO claimed
CN-120192314-A Aryl heterocycle Kv1.3 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2025-06-24 CN disclosed
CN-117946111-A Aryl heterocycle Kv1.3 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-04-30 CN disclosed
CN-108546224-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
CN-108530243-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-05-27 CN disclosed
US-20220162603-A1 COMPOSITIONS COMPRISING ALTERNATING 2'-MODIFIED NUCLEOSIDES FOR USE IN GENE MODULATION IONIS PHARMACEUTICALS, INC. (US) 2022-05-26 US disclosed
CN-108164381-B Process for the manufacture of nitriles and their corresponding amines 中国石化扬子石油化工有限公司 2022-02-11 CN disclosed
US-20040033977-A1 Oligonucleotide modulation of cell adhesion ISIS PHARMACEUTICALS, INC. 2004-02-19 US disclosed
US-20040033978-A1 Compositions and methods for treatment of Hepatitis C virus-associated diseases ISIS PHARMACEUTICALS, INC. 2004-02-19 US disclosed
US-20040023917-A1 Oligonucleotide compositions and methods for the modulation of the expression of B7 protein ISIS PHARMACEUTICALS, INC. 2004-02-05 US disclosed
EP-1285653-A1 Use of alpha-1L agonists in the treatment of incontinence Boehringer Ingelheim Pharma KG (DE) 2003-02-26 EP disclosed
WO-2000032598-A9 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC (US) 2000-11-30 WO disclosed
WO-2000032598-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATORY DISEASES UTILIZING INHIBITORS OF TUMOR NECROSIS FACTOR ACTIVITY STRUCTURAL BIOINFORMATICS INC. (US) 2000-06-08 WO disclosed
EP-0949261-A1 SUBSTITUTED PIPERIDINEDIONE DERIVATIVES AND HERBICIDES NIPPON SODA CO., LTD. (JP) 1999-10-13 EP 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 GFER 922/4885NPC1 1513/4885RAB9A 164/4885
US-20130109713-A1 ANTIMICROBIAL AGENTS RPS4X, RPS4Y1, MRPL21 GFER 1142/4885NPC1 1525/4885RAB9A 419/4885
US-20040023917-A1 Oligonucleotide compositions and methods for the modulation of the expression of B7 protein CD2BP2, MICA, CD74 GFER 3834/4885NPC1 4583/4885RAB9A 4282/4885
US-20220162603-A1 COMPOSITIONS COMPRISING ALTERNATING 2'-MODIFIED NUCLEOSIDES FOR USE IN GENE MODULATION NSUN2, RNMT, NSUN3 GFER 4261/4885NPC1 2904/4885RAB9A 3526/4885
US-20040033977-A1 Oligonucleotide modulation of cell adhesion VCAM1, ICAM1, EPCAM GFER 1984/4885NPC1 3399/4885RAB9A 4662/4885
US-20040033978-A1 Compositions and methods for treatment of Hepatitis C virus-associated diseases RNASE1, NSUN2, POLRMT GFER 3089/4885NPC1 1219/4885RAB9A 4436/4885

“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.