SCHEMBL7544322

SCHEMBL7544322

CCC(C)CC(=O)Nc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA14 Q9ULX7 1/20 0.63
HPGD P15428 2/20 0.63
LMNA P02545 1/20 0.63
HDAC3 O15379 4/20 0.60
HDAC4 P56524 4/20 0.60
HDAC1 Q13547 4/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC2 Q92769 4/20 0.60
HDAC10 Q969S8 4/20 0.60
HDAC11 Q96DB2 4/20 0.60
HDAC8 Q9BY41 4/20 0.60
HDAC6 Q9UBN7 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
TSHR P16473 1/20 0.59
MAPT P10636 2/20 0.54
RORC P51449 1/20 0.54

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
SCHEMBL30805754 1.00 CA1 (0.63) CA1CA2CA7CA14HPGD
SCHEMBL7761938 0.86 HDAC3 (0.65) CA1CA2CA7CA14HPGD
SCHEMBL10931873 0.86 POLB (0.63) HPGDLMNAHDAC3HDAC4HDAC1
SCHEMBL26976319 0.84 CA1 (0.66) CA1CA2CA7CA14HPGD
SCHEMBL11216704 0.84 HPGD (0.61) HPGDLMNAHDAC3HDAC4HDAC1
SCHEMBL29246426 0.83 HDAC8 (0.70) HPGDLMNAHDAC3HDAC4HDAC1
SCHEMBL1947846 0.83 CA1 (0.59) CA1CA2CA7CA14HPGD
SCHEMBL3021548 0.83 LMNA (0.86) HPGDLMNAHDAC3HDAC4HDAC1
SCHEMBL8384204 0.83 LMNA (0.59) HPGDLMNAHDAC3HDAC4HDAC1
SCHEMBL5907668 0.81 HPGD (0.67) HPGDLMNAHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307431-A Method for synthesizing beta-alkylamide from N-phenyl-3-butenamide 南京工业大学 2024-07-09 CN disclosed
CN-115137672-A Compound essential oil and glycerin body and preparation method and application thereof 浙江万里学院 2022-10-04 CN disclosed
EP-2696873-B1 PLASMODIAL SURFACE ANION CHANNEL INHIBITORS FOR THE TREATMENT OR PREVENTION OF MALARIA US HEALTH (US) 2022-08-03 EP disclosed
CN-114805108-A Preparation method of chiral beta-alkyl amide compound 南方科技大学 2022-07-29 CN disclosed
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-05 US disclosed
US-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 US disclosed
US-6291452-B1 CHOLECYSTOKININ ANTAGONISTS. FUJISAWA PHARMACETICAL CO., LTD. (JP) 2001-09-18 US disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed
EP-0970954-A1 3-PIPERIDYL-4-OXOQUINAZOLINE DERIVATIVES AND MEDICINCAL COMPOSITIONS CONTAINING THE SAME JAPAN TOBACCO INC. (JP) 2000-01-12 EP disclosed
EP-0934282-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
WO-1998015535-A1 1,4-BENZODIAZEPINONES AND THEIR USES AS CCK ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-16 WO disclosed
EP-0034292-B1 PROCESS FOR THE PREPARATION OF ANTHRANILIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 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 (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-20020002163-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CA1 724/4885CA2 798/4885CA7 1911/4885
US-20020183313-A1 1,4-benzodiazepinones and their uses as CCK antagonists CCKAR, CCKBR, GABRA4 CA1 724/4885CA2 798/4885CA7 1911/4885

“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.