SCHEMBL23143564

SCHEMBL23143564

CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMYD3 Q9H7B4 2/20 0.68
▸ GRIN1 Q05586 2/20 0.56
▸ GRIN2B Q13224 2/20 0.56
▸ GRIN2D O15399 1/20 0.56
▸ GRIN3B O60391 1/20 0.56
▸ GRIN2A Q12879 1/20 0.56
▸ GRIN2C Q14957 1/20 0.56
▸ GRIN3A Q8TCU5 1/20 0.56
▸ GAA P10253 2/20 0.52
▸ ROCK2 O75116 1/20 0.51
▸ ROCK1 Q13464 1/20 0.51
▸ TP53 P04637 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CRBN Q96SW2 1/20 0.48
▸ NAMPT P43490 1/20 0.47
▸ EP300 Q09472 1/20 0.47
▸ CREBBP Q92793 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ PARP1 P09874 1/20 0.46

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
SCHEMBL23175679 0.91 SMYD3 (0.56) SMYD3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL21489762 0.81 SMYD3 (1.00) SMYD3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL19710217 0.81 SMYD3 (1.00) SMYD3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL154971 0.77 SMYD3 (0.60) SMYD3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL20772962 0.75 GRIN2D (0.53) GRIN1GRIN2BGRIN2DGRIN3BGRIN2A
SCHEMBL6744135 0.74 SMYD3 (0.64) SMYD3CRBNNPC1PTPN1
SCHEMBL7294386 0.74 SMYD3 (0.55) SMYD3GAATP53LMNA
SCHEMBL17591717 0.74 SMYD3 (1.00) SMYD3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL17591718 0.74 SMYD3 (1.00) SMYD3GRIN1GRIN2BGRIN2DGRIN3B
SCHEMBL22425101 0.73 SMYD3 (0.55) SMYD3GRIN1GRIN2BGRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787802-B2 Dihydrobenzimidazolones for medical treatment C4 THERAPEUTICS, INC. (US) 2023-10-17 — — US disclosed
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 — — US disclosed
US-11542274-B1 Therapeutic compounds and methods of use thereof AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2023-01-03 — — US disclosed
CN-114929670-A Therapeutic compounds and methods of use thereof 新加坡科技研究局 2022-08-19 — — CN disclosed
EP-4034526-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF Agency for Science, Technology and Research (A*STAR) (SG) 2022-08-03 — — EP disclosed
US-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-05-20 — — US disclosed
US-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-05-20 — — US disclosed
WO-2021061053-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-04-01 — — WO disclosed
WO-2021061053-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (A*STAR) (SG) 2021-04-01 — — WO 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 (3 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-20210147441-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF UBQLN2, TXNRD1, TXNRD2 SMYD3 4261/4885GRIN1 4068/4885GRIN2B 3800/4885
US-11787802-B2 Dihydrobenzimidazolones for medical treatment CRBN, CUL4A, ADRM1 SMYD3 2716/4885GRIN1 1636/4885GRIN2B 1264/4885
US-11542274-B1 Therapeutic compounds and methods of use thereof MDM2, SUMO2, XIAP SMYD3 3653/4885GRIN1 3390/4885GRIN2B 3517/4885

“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.

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