Sugi Predict

Sugi Predict / Compounds / SCHEMBL5580475

SCHEMBL5580475

SCHEMBL5580475

O=CC(=O)N(Cl)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TRPM8 Q7Z2W7 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GLA P06280 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 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
SCHEMBL10477309 0.81 AKT1 (0.43) NPSR1ALDH1A1TDP1TRPM8NPC1
SCHEMBL8006032 0.77 TRPM8 (0.59) NPSR1ALDH1A1TDP1MAPK1TRPM8
SCHEMBL3730131 0.77 NPSR1 (0.50) NPSR1ALDH1A1TDP1TRPM8NPC1
SCHEMBL11115139 0.77 NPSR1 (0.56) NPSR1ALDH1A1TDP1TRPM8NPC1
SCHEMBL5932378 0.75 NPSR1 (0.48) NPSR1ALDH1A1TDP1TRPM8NPC1
SCHEMBL11669536 0.74 NPSR1 (0.48) NPSR1ALDH1A1TDP1MAPK1TRPM8
SCHEMBL11399712 0.74 KMT2A (0.47) NPSR1ALDH1A1TDP1MAPK1NPC1
SCHEMBL4201822 0.73 NPSR1 (0.52) NPSR1ALDH1A1TDP1TRPM8NPC1
SCHEMBL8397256 0.73 NPSR1 (0.46) NPSR1ALDH1A1TDP1TRPM8NPC1
SCHEMBL6245249 0.73 NPSR1 (0.46) NPSR1ALDH1A1TDP1TRPM8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7276511-B2 Benzylamine derivative ZERIA PHARMACEUTICAL CO., LTD. (JP) 2007-10-02 — — US disclosed
US-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting ZERIA PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 — — US disclosed
EP-1650189-A1 BENZYLAMINE DERIVATIVE Zeria Pharmaceutical Co., Ltd. (JP) 2006-04-26 — — 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-20060194841-A1 E.g., N-{2-(3,4-dichlorophenyl)-2-[(3,3-diphenylpropionyl)-methylamino]-4-{spiro[benzo(c)thiophene-1(3H),4'-piperidine]-(2S)-oxide}-1'-yl-butyl}-3,3,3-trifluoro-N-methyl-propionamide hydrochloride, NK-1 or NK-2 receptor antagonists; irritable bowel syndrome, pain, anxiety, COPD, headaches and vomiting KCNAB1, BDKRB2, ARRB1 NPSR1 39/4885ALDH1A1 1065/4885TDP1 2342/4885

“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.