SCHEMBL6945977

SCHEMBL6945977

NC1CCN(Cc2ccccc2Cl)CC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 8/20 0.73
ALDH1A1 P00352 5/20 0.63
ATM Q13315 1/20 0.63
SIGMAR1 Q99720 1/20 0.62
CYP2A13 Q16696 2/20 0.60
KDM4E B2RXH2 3/20 0.58
PLA2G1B P04054 1/20 0.58
RAB9A P51151 1/20 0.58
ATG4B Q9Y4P1 1/20 0.58
HTT P42858 1/20 0.57
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.55
MAPT P10636 2/20 0.54
GAA P10253 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.52
TDP1 Q9NUW8 1/20 0.52

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
Hydrochloric Acid SCHEMBL11533303 0.98 CXCR4 (0.71) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL5824541 0.90 CXCR4 (0.65) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL31669240 0.90 CXCR4 (0.65) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
Hydrochloric Acid SCHEMBL28987734 0.89 CXCR4 (0.63) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL11386928 0.87 CXCR4 (0.57) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL29767427 0.85 CXCR4 (1.00) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL11360607 0.83 SIGMAR1 (0.85) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL8551996 0.83 CXCR4 (0.69) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL12013926 0.83 CXCR4 (0.69) CXCR4ALDH1A1ATMSIGMAR1CYP2A13
SCHEMBL30443238 0.81 CXCR4 (0.77) CXCR4ALDH1A1ATMSIGMAR1CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12605373-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2026-04-21 US disclosed
US-20250120965-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2025-04-17 US disclosed
US-11963954-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-23 US disclosed
CN-114685519-B Pyranocarbazole alkaloid derivatives and application thereof in treating Alzheimer's disease 中国医学科学院药物研究所 2023-09-26 CN disclosed
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2023-01-19 US disclosed
CN-114685519-A Pyrano-carbazole alkaloid derivative and application thereof in treating Alzheimer's disease 中国医学科学院药物研究所 2022-07-01 CN disclosed
EP-3349743-B1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION ST JUDE CHILDRENS RES HOSPITAL (US) 2022-04-06 EP disclosed
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-09-14 US disclosed
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-03-11 US disclosed
US-20180256558-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-09-13 US disclosed
US-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed
EP-1056744-B1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMA INC (US) 2003-10-22 EP disclosed
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AVENTISUB II INC. 2003-06-05 US disclosed
US-6479487-B1 INHIBIT CYCLIN DEPENDENT KINASES, PARTICULARLY CDK-2; ANTIAPOPTOSIS AGENT; INHIBITS DEVELOPMENT OF NEOPLASMS AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1056744-A1 6,9-DISUBSTITUTED 2- TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES Aventis Pharmaceuticals Inc. (US) 2000-12-06 EP disclosed
WO-1999043675-A1 6,9-DISUBSTITUTED 2-[TRANS-(4- AMINOCYCLOHEXYL) AMINO]PURINES AVENTIS PHARMACEUTICALS INC. (US) 1999-09-02 WO disclosed
EP-0111397-B1 ISOINDOLE DERIVATIVES, PREPARATION, AND USES Bristol-Myers Company (US) 1989-03-01 EP disclosed
US-4600758-A 5-SULFAMOYL-3-OXOISOINDOLES WITH ARLYPIPERIDINYL MOIETIES, DIURETICS, HYPOTENSIVES MEAD JOHNSON & COMPANY (US) 1986-07-15 US disclosed
US-4495194-A HYPOTENSIVE AGENTS; DIURETICS MEAD JOHNSON & COMPANY (US) 1985-01-22 US disclosed
EP-0111397-A1 Isoindole derivatives, preparation, and uses Bristol-Myers Company (US) 1984-06-20 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 (8 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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 CXCR4 1646/4885ALDH1A1 2147/4885ATM 2098/4885
US-20180256558-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 CXCR4 4465/4885ALDH1A1 1996/4885ATM 3318/4885
US-12605373-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction CUL3, CUL1, CUL5 CXCR4 3890/4885ALDH1A1 1133/4885ATM 3142/4885
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 CXCR4 4465/4885ALDH1A1 1996/4885ATM 3318/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 CXCR4 4465/4885ALDH1A1 1996/4885ATM 3318/4885
US-11963954-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 CXCR4 4465/4885ALDH1A1 1996/4885ATM 3318/4885
US-20210069172-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 CXCR4 4465/4885ALDH1A1 1996/4885ATM 3318/4885
US-20250120965-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 CXCR4 4465/4885ALDH1A1 1996/4885ATM 3318/4885

“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.