SCHEMBL1936040

SCHEMBL1936040

NCCc1ccc(CO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 10/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
HTR1A P08908 2/20 0.64
ADRA2A P08913 2/20 0.64
SLC6A2 P23975 2/20 0.64
CYP2C19 P33261 1/20 0.64
HTR3A P46098 1/20 0.64
BACE1 P56817 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TDP1 Q9NUW8 2/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
HTR2A P28223 3/20 0.56
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.56
LOXL2 Q9Y4K0 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NOS3 P29474 2/20 0.50
NOS1 P29475 2/20 0.50

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 SCHEMBL10488347 0.97 BLM (0.65) TAAR1KDM4EALDH1A1HTR1AADRA2A
SCHEMBL224548 0.85 TAAR1 (0.72) TAAR1KDM4EALDH1A1HTR1AADRA2A
SCHEMBL5025570 0.84 MAOA (0.50) TAAR1KDM4EALDH1A1HTR1AADRA2A
SCHEMBL196989 0.83 TAAR1 (0.64) TAAR1KDM4EALDH1A1HTR1AADRA2A
SCHEMBL2325226 0.82 MAOA (0.60) TAAR1KDM4EALDH1A1HTR1AADRA2A
Hydrochloric Acid SCHEMBL3168355 0.82 BLM (0.74) TAAR1KDM4EALDH1A1HTR1AADRA2A
Iodide SCHEMBL29101247 0.82 TAAR1 (0.68) TAAR1KDM4EALDH1A1HTR1AADRA2A
SCHEMBL7539245 0.82 CHKA (0.58) TDP1NOS3NOS1MAOB
Hydrochloric Acid SCHEMBL3668004 0.82 BLM (0.74) TAAR1KDM4EALDH1A1HTR1AADRA2A
SCHEMBL1049854 0.79 HTR2A (0.60) TAAR1KDM4EALDH1A1HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9670305-B2 Polyurethane dispersant and the method for its preparation Wang, Zhijun (CN) 2017-06-06 US claimed
EP-2839873-B1 POLYURETHANE DISPERSANT AND PREPARATION METHOD THEREOF WANG ZHIJUN (CN) 2017-01-04 EP claimed
US-20150065676-A1 POLYURETHANE DISPERSANT AND THE METHOD FOR ITS PREPARATION AFCONA CHEMICALS (HAIMEN) CO., LTD. (CN) 2015-03-05 US claimed
EP-2839873-A1 POLYURETHANE DISPERSANT AND PREPARATION METHOD THEREOF Wang, Zhijun (CN) 2015-02-25 EP claimed
EP-3555105-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS Eli Lilly and Company (US) 2019-10-23 EP disclosed
EP-3464281-A1 MUTANT IDH1 INHIBITORS Eli Lilly and Company (US) 2019-04-10 EP disclosed
WO-2018111707-A1 7-PHENYLETHYLAMINO-4H-PYRIMIDO[4,5-D][1,3]OXAZIN-2-ONE COMPOUNDS AS MUTANT IDH1 AND IDH2 INHIBITORS ELI LILLY AND COMPANY (US) 2018-06-21 WO disclosed
WO-2017213910-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-12-14 WO disclosed
US-9670305-B2 Polyurethane dispersant and the method for its preparation Wang, Zhijun (CN) 2017-06-06 US disclosed
EP-2839873-B1 POLYURETHANE DISPERSANT AND PREPARATION METHOD THEREOF WANG ZHIJUN (CN) 2017-01-04 EP disclosed
US-20150152476-A1 REAGENTS AND METHODS FOR DIRECT LABELING OF NUCLEOTIDES MARKER GENE TECHNOLOGIES, INC. 2015-06-04 US disclosed
US-20150065676-A1 POLYURETHANE DISPERSANT AND THE METHOD FOR ITS PREPARATION AFCONA CHEMICALS (HAIMEN) CO., LTD. (CN) 2015-03-05 US disclosed
US-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-12-02 US disclosed
WO-2004024702-A1 NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-25 WO disclosed
US-5250426-A Catalytic hydrolysis using monoclonal antibodies THE SCRIPPS RESEARCH INSTITUTE (US) 1993-10-05 US disclosed
US-4873254-A ADRENERGIC BLOCKING AGENTS OR CALCIUM CHANNEL BLOCKERS; HYPOTENSIVE AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-10-10 US disclosed
EP-0194751-A1 Dihydropyridine alkanol amines, process for their preparation and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-09-17 EP disclosed
US-4598077-A Amidine derivatives and cardiotonic compositions TORII & CO. LTD. (JP) 1986-07-01 US disclosed
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 US disclosed
US-4136197-A HYPOGLYCAEMICALLY AND HYPOLIPIDAEMICALLY EFFECTIVE N-SUBSTITUTED CARBOXYLIC ACID AMIDES BOEHRINGER MANNHEIM GMBH (DE) 1979-01-23 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 (2 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-20040242572-A1 New carboxamide compounds having melanin concentrating hormone antagonistic activity, pharmaceutical preparations comprising these compounds and process for their manufacture MCHR2, MCHR1, NPY1R TAAR1 141/4885KDM4E 492/4885ALDH1A1 3363/4885
US-20150152476-A1 REAGENTS AND METHODS FOR DIRECT LABELING OF NUCLEOTIDES DUT, DNTT, NUDT1 TAAR1 4268/4885KDM4E 2892/4885ALDH1A1 1343/4885

“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.