SCHEMBL2098844

SCHEMBL2098844

CC(=O)N1CCN(C(=O)C2c3ccccc3C(=O)N(Cc3ccc(Cl)cc3)C2c2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 5/20 0.69
TP53 P04637 2/20 0.59
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ALDH1A1 P00352 6/20 0.48
NPSR1 Q6W5P4 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 4/20 0.47
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FFAR1 O14842 2/20 0.43

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
SCHEMBL29921276 1.00 MDM2 (0.69) MDM2TP53MAPTKDM4EHSD17B10
SCHEMBL29921448 0.88 MDM2 (0.69) MDM2TP53MAPTKDM4EHSD17B10
SCHEMBL1754227 0.88 MDM2 (0.69) MDM2TP53MAPTKDM4EHSD17B10
SCHEMBL29921285 0.87 MDM2 (0.65) MDM2TP53MAPTKDM4EHSD17B10
SCHEMBL2098984 0.87 MDM2 (0.65) MDM2TP53MAPTKDM4EHSD17B10
SCHEMBL2054561 0.82 MDM2 (1.00) MDM2TP53MAPTALDH1A1NPSR1
SCHEMBL2054558 0.82 MDM2 (1.00) MDM2TP53MAPTALDH1A1NPSR1
SCHEMBL2098298 0.82 MDM2 (1.00) MDM2TP53MAPTALDH1A1NPSR1
SCHEMBL29921540 0.82 MDM2 (1.00) MDM2TP53MAPTALDH1A1NPSR1
SCHEMBL2054556 0.82 MDM2 (1.00) MDM2TP53MAPTALDH1A1NPSR1

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-8163744-B2 Tetrahydro-isoquinolin-1-ones for the treatment of cancer NEXUSPHARMA, INC. (US) 2012-04-24 US claimed
US-20090068144-A1 TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER NEXUSPHARMA INC. 2009-03-12 US claimed
EP-4548977-A2 NOVEL ISOQUINOLINES AS PROTEIN DEGRADERS, E7 DEGRADERS, ANTIVIRALS, TUMOR THERAPEUTICS AND IMMUNE SUPPRESSIVES RDP Pharma AG (CH) 2025-05-07 EP disclosed
US-20240208925-A1 ISOQUINOLINE DERIVATIVES FOR USE AS ANTIVIRAL AND ANTITUMOUR AGENTS PAGS CO., LTD. (KR) 2024-06-27 US disclosed
EP-4322949-A1 ISOQUINOLINE DERIVATIVES FOR USE AS ANTIVIRAL AND ANTITUMOUR AGENTS RDP Pharma AG (CH) 2024-02-21 EP disclosed
CN-117377474-A Isoquinoline derivatives as antiviral and antitumor agents RDP制药股份公司 2024-01-09 CN disclosed
US-8163744-B2 Tetrahydro-isoquinolin-1-ones for the treatment of cancer NEXUSPHARMA, INC. (US) 2012-04-24 US disclosed
US-20090068144-A1 TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER NEXUSPHARMA INC. 2009-03-12 US disclosed
WO-2006097323-A1 TETRAHYDRO-ISOQUINOLIN-l-ONES FOR THE TREATMENT OF CANCER WEBER LUTZ (DE) 2006-09-21 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 (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-20240208925-A1 ISOQUINOLINE DERIVATIVES FOR USE AS ANTIVIRAL AND ANTITUMOUR AGENTS TP53, EIF2AK2, VHL MDM2 18/4885TP53 1/4885MAPT 3304/4885
US-20090068144-A1 TETRAHYDRO-ISOQUINOLIN-1-ONES FOR THE TREATMENT OF CANCER ING2, HMGB2, NOTCH2 MDM2 9/4885TP53 26/4885MAPT 667/4885

“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.