SCHEMBL1179995

SCHEMBL1179995

CC(C)C(C(N)=O)C(C)C.[LiH]

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.36
LMNA P02545 2/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
ALDH1A1 P00352 1/20 0.31
OR51E2 Q9H255 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL82496 0.97 SLC7A5 (0.38) SLC7A5LMNAALOX15BLMPMP22
SCHEMBL28611647 0.93 SLC7A5 (0.36) SLC7A5LMNAALOX15BLMPMP22
SCHEMBL29128986 0.93 SLC7A5 (0.36) SLC7A5LMNAALOX15BLMPMP22
SCHEMBL29053273 0.93 SLC7A5 (0.36) SLC7A5LMNAALOX15BLMPMP22
Hydrochloric Acid SCHEMBL6491083 0.93 SLC7A5 (0.36) SLC7A5LMNAALOX15BLMPMP22
SCHEMBL29170630 0.93 SLC7A5 (0.36) SLC7A5LMNAALOX15BLMPMP22
SCHEMBL29019967 0.93 SLC7A5 (0.36) SLC7A5LMNAALOX15BLMPMP22
SCHEMBL27806633 0.90 SLC7A5 (0.38) SLC7A5LMNAALOX15BLMPMP22
SCHEMBL14261041 0.81 TP53 (0.33) SLC7A5LMNAALOX15BLMPMP22
SCHEMBL21233886 0.81 TP53 (0.33) SLC7A5LMNAALOX15BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12427157-B2 Methods for treatment of diseases involving acidic or hypoxic diseased tissues CYBREXA 1, INC. (US) 2025-09-30 US disclosed
US-12410262-B2 Peptide conjugates of cytotoxins as therapeutics Cybrexa 2, Inc. (US) 2025-09-09 US disclosed
US-12251387-B2 Substituted quinoxalines and benzo[c][1,2,5]oxadiazoles as DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-03-18 US disclosed
US-12234212-B2 Peptide conjugates of microtubule-targeting agents as therapeutics Cybrexa 3, Inc. (US) 2025-02-25 US disclosed
EP-3740479-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-11-20 EP disclosed
US-20240368182-A1 Substituted Macrocyclic Compounds and Related Methods of Treatment JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2024-11-07 US disclosed
US-12121524-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US disclosed
US-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 US disclosed
US-12006330-B2 Substituted macrocyclic compounds and related methods of treatment ALKERMES, INC. (US) 2024-06-11 US disclosed
CN-111757876-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-03-22 CN disclosed
US-20060079556-A1 N-sulfonylpiperidine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2006-04-13 US disclosed
EP-0471372-B1 Novel substituted guanidine derivatives, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-11-21 EP disclosed
US-6020347-A 4-substituted-4-piperidine carboxamide derivatives MERCK & CO., INC. (US) 2000-02-01 US disclosed
WO-1999025685-A1 4-SUBSTITUTED-4-PIPERIDINE CARBOXAMIDE DERIVATIVES MERCK & CO., INC. (US) 1999-05-27 WO disclosed
US-5256679-A Pesticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-26 US disclosed
EP-0471372-A1 Novel substituted guanidine derivatives, their preparation and use Takeda Chemical Industries, Ltd. (JP) 1992-02-19 EP disclosed
US-4801710-A Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO., INC. (US) 1989-01-31 US disclosed
EP-0190588-A1 Quinazolino-1,4-benzodiazepin-6,9-diones, processes for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1986-08-13 EP disclosed
EP-0184473-A1 Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO. INC. (US) 1986-06-11 EP disclosed
US-4554272-A CHOLECYSTOKININ INHIBITORS MERCK & CO., INC. (US) 1985-11-19 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 (9 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-12410262-B2 Peptide conjugates of cytotoxins as therapeutics TOP1, TOP2A, TOP2B SLC7A5 1635/4885LMNA 2956/4885ALOX15 3660/4885
US-20060079556-A1 N-sulfonylpiperidine cannabinoid receptor 1 antagonists CNR1, CNR2, NPY1R SLC7A5 3746/4885LMNA 4092/4885ALOX15 3054/4885
US-12006330-B2 Substituted macrocyclic compounds and related methods of treatment HCRTR2, HCRTR1, CNR2 SLC7A5 1930/4885LMNA 1390/4885ALOX15 1204/4885
US-12121524-B2 DNA-PK inhibitors POLK, DTYMK, DCK SLC7A5 4120/4885LMNA 469/4885ALOX15 4733/4885
US-20240368182-A1 Substituted Macrocyclic Compounds and Related Methods of Treatment HCRTR2, HCRTR1, CNR2 SLC7A5 1930/4885LMNA 1390/4885ALOX15 1204/4885
US-12251387-B2 Substituted quinoxalines and benzo[c][1,2,5]oxadiazoles as DNA-PK inhibitors TOP1, TOP2A, TOP2B SLC7A5 3307/4885LMNA 173/4885ALOX15 3574/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK SLC7A5 4120/4885LMNA 469/4885ALOX15 4733/4885
US-12427157-B2 Methods for treatment of diseases involving acidic or hypoxic diseased tissues HIF1A, HIF1AN, EGLN3 SLC7A5 2418/4885LMNA 672/4885ALOX15 160/4885
US-12234212-B2 Peptide conjugates of microtubule-targeting agents as therapeutics MAP4, MAP2, TUBB3 SLC7A5 1888/4885LMNA 3608/4885ALOX15 4803/4885

“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.