SCHEMBL2858039

SCHEMBL2858039

NC1CCN(Cc2ccccc2F)CC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
ATM Q13315 1/20 0.63
CYP2A13 Q16696 1/20 0.60
SIGMAR1 Q99720 2/20 0.53
POLB P06746 2/20 0.53
KMT2A Q03164 3/20 0.51
OPRK1 P41145 1/20 0.51
KDM4E B2RXH2 4/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
CXCR4 P61073 1/20 0.47
CXCR3 P49682 1/20 0.47

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
SCHEMBL31448683 0.89 CYP2A13 (0.69) ALDH1A1ATMCYP2A13SIGMAR1POLB
Hydrochloric Acid SCHEMBL4221800 0.89 ATM (0.55) ALDH1A1ATMCYP2A13SIGMAR1POLB
Trifluoroacetic Acid SCHEMBL1921312 0.87 SIGMAR1 (0.56) ALDH1A1ATMCYP2A13SIGMAR1POLB
SCHEMBL6943859 0.87 ATM (0.49) ALDH1A1ATMCYP2A13SIGMAR1POLB
SCHEMBL3589864 0.83 MAOA (0.52) ALDH1A1ATMSIGMAR1MAOAMAOB
SCHEMBL29767452 0.83 CXCR4 (0.69) ALDH1A1ATMCYP2A13SIGMAR1POLB
SCHEMBL16226380 0.83 ALDH1A1 (0.81) ALDH1A1ATMCYP2A13POLBKMT2A
SCHEMBL8551446 0.83 ALDH1A1 (0.64) ALDH1A1ATMCYP2A13SIGMAR1POLB
SCHEMBL12013928 0.83 ACHE (0.68) ALDH1A1ATMCYP2A13SIGMAR1POLB
Methane SCHEMBL3600037 0.82 MAOA (0.51) ALDH1A1ATMSIGMAR1MAOAMAOB

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 30 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-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2021-09-14 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 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
CN-1292789-A 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines AWANDIS PHARMACEUTICAL CORP (US) 2001-04-25 CN 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-0625507-B1 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO (JP) 1997-07-23 EP disclosed
US-5621010-A ANTIHYPERCHOLESTEROLEMIA AND ANTIATHEROSCLEROSIS NISSHIN FLOUR MILLING CO., LTD. (JP) 1997-04-15 US disclosed
EP-0625507-A2 Urea derivatives and their use as acat inhibitors NISSHIN FLOUR MILLING CO., LTD. (JP) 1994-11-23 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 ALDH1A1 3332/4885ATM 3591/4885CYP2A13 188/4885
US-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 ALDH1A1 2147/4885ATM 2098/4885CYP2A13 3915/4885
US-12605373-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction CUL3, CUL1, CUL5 ALDH1A1 1133/4885ATM 3142/4885CYP2A13 1532/4885
US-20230021224-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 ALDH1A1 1996/4885ATM 3318/4885CYP2A13 1575/4885
US-11116757-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 ALDH1A1 1996/4885ATM 3318/4885CYP2A13 1575/4885
US-11963954-B2 Methods and compositions of inhibiting DCN1-UBC12 interaction UBQLN1, CUL1, DCUN1D1 ALDH1A1 1996/4885ATM 3318/4885CYP2A13 1575/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 ALDH1A1 3332/4885ATM 3591/4885CYP2A13 188/4885
US-20250120965-A1 METHODS AND COMPOSITIONS OF INHIBITING DCN1-UBC12 INTERACTION UBQLN1, CUL1, DCUN1D1 ALDH1A1 1996/4885ATM 3318/4885CYP2A13 1575/4885

“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.