SCHEMBL1952604

SCHEMBL1952604

NCCCN(CCCN)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.52
MAOA P21397 1/20 0.43
GBA1 P04062 1/20 0.42
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KIF11 P52732 1/20 0.40
TSHR P16473 1/20 0.39

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
Hydrochloric Acid SCHEMBL8760339 0.98 ADRA2C (0.50) ADRA2CMAOAGBA1HTR2AHRH1
SCHEMBL11581972 0.90 ADRA2C (0.49) ADRA2CMAOAGBA1
SCHEMBL14398133 0.90 ADRA2C (0.45) ADRA2CTSHR
SCHEMBL3868886 0.87 TSHR (0.52) ADRA2CTSHR
SCHEMBL11812654 0.87 NPC1 (0.46) ADRA2CTSHR
SCHEMBL11806521 0.87 NPC1 (0.46) ADRA2CTSHR
SCHEMBL11137046 0.87 KCNH2 (0.55) ADRA2CHTR2AHRH1TSHR
Hydrochloric Acid SCHEMBL7104055 0.86 TSHR (0.50) ADRA2CTSHR
Hydrochloric Acid SCHEMBL8619258 0.86 TSHR (0.50) ADRA2CTSHR
SCHEMBL9100655 0.85 CARM1 (0.45) ADRA2CMAOAHTR2AHRH1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907216-B Hydrogenation method of dicyanoethyl tertiary amine 万华化学集团股份有限公司 2024-02-02 CN claimed
CN-114907216-A Hydrogenation method of dicyanoethyl tertiary amine 万华化学集团股份有限公司 2022-08-16 CN claimed
CN-114907216-B Hydrogenation method of dicyanoethyl tertiary amine 万华化学集团股份有限公司 2024-02-02 CN disclosed
EP-3271423-B1 CATIONIC DIRECT DYES BASF SE (DE) 2022-08-31 EP disclosed
CN-114907216-A Hydrogenation method of dicyanoethyl tertiary amine 万华化学集团股份有限公司 2022-08-16 CN disclosed
EP-2332998-B1 Solvent free aqueous polyurethane dispersions and methods of making and using the same VERSUM MAT US LLC (US) 2018-09-26 EP disclosed
US-20180244924-A1 Cationic Direct Dyes BASF SE (DE) 2018-08-30 US disclosed
EP-3271423-A1 CATIONIC DIRECT DYES BASF SE (DE) 2018-01-24 EP disclosed
US-9617453-B2 Solvent free aqueous polyurethane dispersions and methods of making and using the same AIR PRODUCTS AND CHEMICALS, INC. (US) 2017-04-11 US disclosed
WO-2016146813-A1 CATIONIC DIRECT DYES BASF SE (DE) 2016-09-22 WO disclosed
WO-2016146813-A1 CATIONIC DIRECT DYES BASF SE (DE) 2016-09-22 WO disclosed
EP-0013665-A1 Polymeric polyamino 1,3,5-triazines containing at least one polyalkylpiperidine group, their preparation, their use in stabilizing an organic material and the material stabilized therewith CIBA-GEIGY AG (CH) 1980-07-23 EP disclosed
US-4184990-A Process for the preparation of stable dispersions of polyisocyanate-polyaddition products in a hydroxyl containing compound as dispersing agent BAYER AKTIENGESELLSCHAFT (DE) 1980-01-22 US disclosed
US-4174443-A Aza-bis-lactams GAF CORPORATION (US) 1979-11-13 US disclosed
US-4147680-A Production of polyurethane resins using as active hydrogen material a stable dispersion of ionic polyisocyanate-polyaddition products in hydroxyl containing compounds as a dispersing agent BAYER AKTIENGESELLSCHAFT (DE) 1979-04-03 US disclosed
US-4118439-A IONICALLY CROSSLINKED QUATERNARY AMMONIUM POLYMER RHONE-POULENC S.A. (FR) 1978-10-03 US disclosed
US-4092275-A Polyurethane resins prepared from active hydrogen containing material which is a dispersion of polyisocyanate-polyaddition products in hydroxyl containing compounds as dispersing agents BAYER AKTIENGESELLSCHAFT (DT) 1978-05-30 US disclosed
US-4083847-A Transiently water-soluble disperse mono-azo dyes containing a diamino-methylene-carbacyl group CIBA-GEIGY CORPORATION (US) 1978-04-11 US disclosed
US-3970601-A COATINGS BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 US disclosed
US-3951789-A POLYAMIDEAMINES ALLIED CHEMICAL CORPORATION (US) 1976-04-20 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 (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-20180244924-A1 Cationic Direct Dyes H1-0, TPH1, H1-2 ADRA2C 1543/4885MAOA 1105/4885GBA1 2756/4885

“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.