SCHEMBL1795448

SCHEMBL1795448

CCN(N)Cc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 4/20 0.63
TSHR P16473 3/20 0.54
ALDH1A1 P00352 2/20 0.52
CNR2 P34972 1/20 0.48
LMNA P02545 1/20 0.48
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
TP53 P04637 1/20 0.46
MGLL Q99685 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CA2 P00918 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.42
CHRM2 P08172 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA2A P08913 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42

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
SCHEMBL1795445 1.00 AOC3 (0.63) AOC3TSHRALDH1A1CNR2LMNA
SCHEMBL1794281 0.85 AOC3 (0.64) AOC3TSHRALDH1A1CARM1PRMT6
SCHEMBL833414 0.85 AOC3 (0.64) AOC3TSHRALDH1A1CARM1PRMT6
Hydrochloric Acid SCHEMBL11779718 0.82 AOC3 (0.61) AOC3TSHRALDH1A1LMNACARM1
SCHEMBL9643574 0.82 AOC3 (0.56) AOC3TSHRALDH1A1CNR2CARM1
SCHEMBL11181580 0.79 AOC3 (0.52) AOC3TSHRALDH1A1CARM1PRMT6
SCHEMBL18884371 0.77 AOC3 (1.00) AOC3CHRM2HTR1AADRA2ACHRM1
SCHEMBL2767287 0.77 KCNH2 (0.50) AOC3TSHRALDH1A1CNR2CARM1
SCHEMBL16257816 0.76 AOC3 (0.54) AOC3TSHRALDH1A1CARM1PRMT6
SCHEMBL1348975 0.76 TSHR (0.54) AOC3TSHRALDH1A1CNR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894884-A Trifunctional organic catalyst, and preparation method and application thereof 浙江大学 2023-04-04 CN claimed
EP-3064530-B1 XYLYLENE DIAMINE COMPOSITION, AND METHOD FOR PRODUCING POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL CO (JP) 2018-09-05 EP claimed
CN-105683253-B The manufacture method of benzene dimethylamine composition and polyamide 三菱瓦斯化学株式会社 2017-10-20 CN claimed
US-9637594-B2 Xylylene diamine composition, and method for producing polyamide resin MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-05-02 US claimed
US-20160304671-A1 XYLYLENE DIAMINE COMPOSITION, AND METHOD FOR PRODUCING POLYAMIDE RESIN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-10-20 US claimed
EP-3064530-A1 XYLYLENE DIAMINE COMPOSITION, AND METHOD FOR PRODUCING POLYAMIDE RESIN Mitsubishi Gas Chemical Company, Inc. (JP) 2016-09-07 EP claimed
CN-105683253-A Xylylene diamine composition, and method for producing polyamide resin 三菱瓦斯化学株式会社 2016-06-15 CN claimed
CN-115894884-B Trifunctional organic catalyst and preparation method and application thereof 浙江大学 2024-07-05 CN disclosed
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
CN-115894884-A Trifunctional organic catalyst, and preparation method and application thereof 浙江大学 2023-04-04 CN disclosed
US-11564911-B2 Small molecule dual-inhibitors of TRPV4 and TRPA1 for sanitizing and anesthetizing DUKE UNIVERSITY (US) 2023-01-31 US disclosed
CN-114651025-A Curable composition, cured product, fiber-reinforced composite material, molded article, and method for producing same DIC株式会社 2022-06-21 CN disclosed
US-11014896-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch DUKE UNIVERSITY (US) 2021-05-25 US disclosed
EP-1790639-A1 COMPOUND CONTAINING BASIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-30 EP disclosed
CN-1515574-A Substituted 7-acylamino-3-(methyldiazanediyl) methylcephalosporin and intermediate body with antibiotic action 生物化学有限公司 2004-07-28 CN disclosed
CN-1117095-C Substituted 7-acylamino-3- (methylhydrazono) methylcephalosporin with antibacterial action and intermediate BIOCHEMIE CO LTD (AT) 2003-08-06 CN disclosed
CN-1251591-A Substituted 7-acylamino-3- (methylhydrazono) methylcephalosporin with antibacterial action and intermediate BIOCHEMIE CO LTD (AT) 2000-04-26 CN disclosed
US-4397965-A HYDRAZINE DERIVATIVE BLOWING AGENT UNIROYAL, INC. (US) 1983-08-09 US disclosed
EP-0083173-A1 Expandable and curable polyester composition and method for making same UNIROYAL, INC. (US) 1983-07-06 EP disclosed
US-4131685-A ADRENERGIC BLOCKING AGENT, CARDIAC STIMULANT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-26 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 (3 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-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 AOC3 4484/4885TSHR 3479/4885ALDH1A1 319/4885
US-11564911-B2 Small molecule dual-inhibitors of TRPV4 and TRPA1 for sanitizing and anesthetizing TRPA1, TRPV4, TRPV1 AOC3 2224/4885TSHR 3969/4885ALDH1A1 1975/4885
US-11014896-B2 TRPA1 and TRPV4 inhibitors and methods of using the same for organ-specific inflammation and itch TRPA1, TRPV4, TRPV2 AOC3 1417/4885TSHR 4260/4885ALDH1A1 2640/4885

“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.