SCHEMBL6402185

SCHEMBL6402185

NC(=O)CC(Cl)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.52
CYP2C19 P33261 3/20 0.52
DRD3 P35462 2/20 0.52
LMNA P02545 2/20 0.52
MAPK1 P28482 2/20 0.52
ADORA3 P0DMS8 1/20 0.52
EDNRB P24530 1/20 0.52
MC4R P32245 1/20 0.52
MC3R P41968 1/20 0.52
DRD2 P14416 1/20 0.52
CYP2D6 P10635 2/20 0.48
CYP1A2 P05177 1/20 0.48
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
GABBR2 O75899 1/20 0.46
GABBR1 Q9UBS5 1/20 0.46
EPHX1 P07099 1/20 0.44
ALDH1A1 P00352 1/20 0.44
BCAT2 O15382 1/20 0.43

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
Acetamide SCHEMBL27959240 0.94 CYP2C19 (0.47) SLC6A3CYP2C19DRD3LMNAMAPK1
Phthalic Acid SCHEMBL28972902 0.91 ALDH1A1 (0.48) SLC6A3CYP2C19DRD3LMNAMAPK1
SCHEMBL1131704 0.83 GABBR2 (0.53) CYP2C19LMNAMAPK1CYP2D6GABBR2
SCHEMBL3355942 0.83 CYP2D6 (0.44) SLC6A3CYP2C19DRD3LMNAMAPK1
SCHEMBL9491712 0.81 LMNA (0.43) SLC6A3CYP2C19DRD3LMNAMAPK1
SCHEMBL7765052 0.81 CYP2C19 (0.43) SLC6A3CYP2C19DRD3LMNAMAPK1
SCHEMBL1383474 0.80 CYP2C19 (0.67) SLC6A3CYP2C19DRD3LMNAMAPK1
SCHEMBL6404252 0.80 CYP2D6 (0.46) SLC6A3CYP2C19DRD3LMNAMAPK1
SCHEMBL4729080 0.79 ALDH1A1 (0.50) LMNAMAPK1CYP2D6GABBR2GABBR1
Hydrochloric Acid SCHEMBL5011439 0.78 CYP2C19 (0.65) SLC6A3CYP2C19DRD3LMNAMAPK1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112040958-A Peptide-containing formulations 科巴公司 2020-12-04 CN disclosed
CN-107384266-A A kind of water negative ion acrylate syrup and preparation method thereof 浙江爱丽莎环保科技股份有限公司 2017-11-24 CN disclosed
US-20050004092-A1 Penem derivatives and antimicrobial agent containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-06 US disclosed
EP-0757051-B1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-10-29 EP disclosed
EP-0757051-A1 PENEM DERIVATIVES AND ANTIMICROBIAL AGENT CONTAINING THE SAME SUNTORY LIMITED (JP) 1997-02-05 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 (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-20050004092-A1 Penem derivatives and antimicrobial agent containing the same MRPL21, MRPS2, MRPS28 SLC6A3 4010/4885CYP2C19 3170/4885DRD3 2868/4885

“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.