SCHEMBL130243

SCHEMBL130243

CCN(CC)c1c[c]ccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
PSMD14 O00487 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH3A1 P30838 1/20 0.38
ALDH1A3 P47895 1/20 0.38
CNR2 P34972 1/20 0.37
TERT O14746 1/20 0.35
S100B P04271 1/20 0.34
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
NOX1 Q9Y5S8 1/20 0.34
MAPT P10636 4/20 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
SCHEMBL14949883 0.85 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRL3MBTL1PSMD14
SCHEMBL3709630 0.85 TSHR (0.34) ALDH1A1CYP3A4TSHRMEN1KMT2A
SCHEMBL9458404 0.85 TSHR (0.34) ALDH1A1CYP3A4TSHR
SCHEMBL27658222 0.84 TSHR (0.68) ALDH1A1TSHRL3MBTL1MAPK1TDP1
SCHEMBL27587413 0.84 TSHR (0.33) ALDH1A1CYP3A4TSHRALDH3A1ALDH1A3
SCHEMBL131242 0.83 CNR2 (0.31) TSHRL3MBTL1CNR2
SCHEMBL28860546 0.82 CNR2 (0.39) ALDH1A1TDP1CNR2RAB9ANPC1
SCHEMBL27948257 0.82 CNR2 (0.31) CNR2
SCHEMBL27670512 0.81 DRD4 (0.36) ALDH1A1CYP3A4TSHRGFERMEN1
SCHEMBL4467275 0.81 ADRA2A (0.35) ALDH1A1CYP3A4TSHRGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023217539-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS THEREFROM CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2023-11-16 WO claimed
EP-4276093-A1 ANTIVIRAL COMPOUNDS AND COMPOSITIONS THEREFROM Consejo Superior De Investigaciones Científicas (ES) 2023-11-15 EP claimed
CN-113135922-B Azepane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2023-05-30 CN claimed
CN-113135922-A Azacycloheptane [4,3,2-cd ] isoindol-2-one derivatives and application thereof 中国药科大学 2021-07-20 CN claimed
CN-111377923-A Pyrido [3',2':6, 7] azepino [4,3,2-cd ] isoindolone derivatives and application thereof 中国药科大学 2020-07-07 CN claimed
CN-107141391-B Ethylene-polar styrene quasi-random copolymer and preparation method thereof 中国科学院长春应用化学研究所 2020-03-13 CN claimed
US-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors MERCK PATENT GMBH (DE) 2019-05-21 US claimed
EP-3400231-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING MICROBIAL INFECTIONS Technion Research & Development Foundation Limited (IL) 2018-11-14 EP claimed
EP-3344641-A1 AMINOGLYCOSIDE DERIVATIVES AND USES THEREOF IN TREATING GENETIC DISORDERS Eloxx Pharmaceuticals Ltd. (IL) 2018-07-11 EP claimed
EP-2803663-B1 Human protein tyrosine phosphatase inhibitors and their pharmaceutical use AERPIO THERAPEUTICS INC (US) 2017-11-29 EP claimed
US-6509426-B2 Dichloro(1,1'-dimethylsilylenebis(2-methyl-4-(4-methoxyphenyl) -4H-azulenyl))zirconium, for example; can produce polyolefin with high molecular weight and high melting point for extrusion or injection moldability JAPAN POLYCHEM CORPORATION (JP) 2003-01-21 US claimed
US-6455525-B1 Heterocyclic substituted pyrazolones CEPHALON, INC. 2002-09-24 US claimed
EP-1226141-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2002-07-31 EP claimed
EP-1124791-A1 SURFACE FUNCTIONALISATION ISIS INNOVATION LIMITED (GB) 2001-08-22 EP claimed
WO-2001032653-A1 HETEROCYCLIC SUBSTITUTED PYRAZOLONES CEPHALON, INC. (US) 2001-05-10 WO claimed
WO-2000026180-A1 SURFACE FUNCTIONALISATION ISIS INNOVATION LIMITED (GB) 2000-05-11 WO claimed
US-5656745-A AMIDATE LINKAGE; ANTITUMOR, ANTICARCINOGENIC AGENTS GILEAD SCIENCES, INC. (US) 1997-08-12 US claimed
EP-0034349-B1 NOVEL PYRIDINECARBOXAMIDE DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF, THE USE OF SAID DERIVATIVES AND A PHARMACEUTICAL COMPOSITION CONTAINING SAME Tanabe Seiyaku Co., Ltd. (JP) 1983-12-14 EP claimed
EP-0000616-B1 MATRIX ADDRESSABLE ELECTROCHROMIC DISPLAY DEVICE International Business Machines Corporation (US) 1981-11-25 EP claimed
EP-0034349-A2 Novel pyridinecarboxamide derivatives, a process for the preparation thereof, the use of said derivatives and a pharmaceutical composition containing same Tanabe Seiyaku Co., Ltd. (JP) 1981-08-26 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10294246-B2 Substituted boronic acids and boronate esters as immunoproteasome inhibitors PSMB7, PSMA7, PSMB11 ALDH1A1 2896/4885CYP3A4 3910/4885TSHR 4102/4885

“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.