SCHEMBL871538

SCHEMBL871538

NC(=O)C1CC1c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.66
ALDH1A1 P00352 2/20 0.65
HDAC4 P56524 1/20 0.61
HPGD P15428 2/20 0.53
FFAR1 O14842 1/20 0.51
DEGS1 O15121 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
KDM1A O60341 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2B6 P20813 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
NAMPT P43490 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL12836827 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL4740282 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL4130704 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL4856112 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL5816055 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL7050196 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
SCHEMBL1224903 1.00 SLC9A1 (0.66) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Hydrochloric Acid SCHEMBL4380280 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Hydrochloric Acid SCHEMBL6388776 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1
Ammonia Solution, Strong SCHEMBL27604546 0.98 SLC9A1 (0.64) SLC9A1ALDH1A1HDAC4HPGDFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12247036-B2 Tricyclic compounds for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2025-03-11 US claimed
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-12-19 US claimed
EP-4263502-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS Heptares Therapeutics Limited (GB) 2023-10-25 EP claimed
WO-2022129953-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS HEPTARES THERAPEUTICS LIMITED (GB) 2022-06-23 WO claimed
CN-106715415-B 3-amino-1, 5,6, 7-tetrahydro-4H-indol-4-ones 拜耳制药股份公司 2019-06-14 CN claimed
US-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2017-09-28 US claimed
CN-107082760-A The positive allosteric modulators of nAChR H.隆德贝克有限公司 2017-08-22 CN claimed
EP-3188732-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 Merck Sharp & Dohme Corp. (US) 2017-07-12 EP claimed
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US claimed
WO-2016036633-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 MERCK SHARP & DOHME CORP. (US) 2016-03-10 WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
US-20010031765-A1 Antiviral compounds BIOCHEM PHARMA INC. 2001-10-18 US claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
US-6255318-B1 CYTOMEGLO VIRUS BIOCHEM PHARMA INC. (CA) 2001-07-03 US claimed
WO-2001040244-A1 N6 HETEROCYCLIC 5' MODIFIED ADENOSINE DERIVATIVES CV THERAPEUTICS, INC. (US) 2001-06-07 WO claimed
EP-1077699-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 2001-02-28 EP claimed
CN-1283995-A Antiviral compounds IAF BIOCHEM INT (CA) 2001-02-14 CN claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
WO-1999059582-A1 AMIDE THERAPEUTICS FOR THE TREATMENT OF INFLAMMATORY BOWEL DISEASE CENTAUR PHARMACEUTICALS, INC. (US) 1999-11-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20170273965-A1 TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 DGAT2, DGAT1, MOGAT2 SLC9A1 1318/4885ALDH1A1 746/4885HDAC4 1523/4885
US-20240417410-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF CANCER H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B SLC9A1 2273/4885ALDH1A1 462/4885HDAC4 217/4885
US-20010031765-A1 Antiviral compounds ZC3HAV1, IFNAR1, EIF2AK2 SLC9A1 3155/4885ALDH1A1 2126/4885HDAC4 425/4885
US-12247036-B2 Tricyclic compounds for the treatment of cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, TOP2B SLC9A1 2273/4885ALDH1A1 462/4885HDAC4 217/4885

“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.