SCHEMBL6945820

SCHEMBL6945820

CN(C)CCN1CCC(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
PTK2B Q14289 1/20 0.37
ESR2 Q92731 1/20 0.37
DAO P14920 1/20 0.36
PIM1 P11309 1/20 0.36
SLC6A4 P31645 1/20 0.35
HRH1 P35367 1/20 0.35
ACKR3 P25106 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
TERT O14746 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33

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
SCHEMBL6946289 0.88 ALOX15 (0.41) KDM4EALDH1A1MAPTLMNAPIM1
SCHEMBL6948641 0.86 ALOX15 (0.37) ALDH1A1PIM1HRH3TERT
SCHEMBL6950262 0.84 ALDH1A1 (0.41) ALDH1A1HRH3TERT
SCHEMBL31629104 0.80 BDKRB1 (0.34) KDM4EALDH1A1MAPTLMNAPTK2B
SCHEMBL6948445 0.79 SIGMAR1 (0.38) SLC6A4HRH3SIGMAR1
SCHEMBL14410000 0.78 KDM4E (0.37) KDM4EALDH1A1MAPTLMNAPTK2B
SCHEMBL2231151 0.78 PIM1 (0.42) KDM4EALDH1A1MAPTLMNAPTK2B
SCHEMBL1186740 0.78
SCHEMBL6949945 0.78 SIGMAR1 (0.42) HRH3SIGMAR1
SCHEMBL6943643 0.75 SIGMAR1 (0.45) ALDH1A1HRH3SIGMAR1

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-20230348421-A1 5-HT2A RECEPTOR INHIBITOR OR INVERSE AGONIST, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LUYE INNOMIND PHARMA SHIJIAZHUANG CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348421-A1 5-HT2A RECEPTOR INHIBITOR OR INVERSE AGONIST, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LUYE INNOMIND PHARMA SHIJIAZHUANG CO., LTD. (CN) 2023-11-02 US disclosed
EP-4186893-A1 5-HT2A RECEPTOR INHIBITOR OR INVERSE AGONIST, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Geneora Pharma (Shijiazhuang) Co., Ltd. (CN) 2023-05-31 EP 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

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-20030105098-A1 6,9-disubstituted 2-[trans-(4-aminocyclohexyl) amino] purines CDK6, CDK5, CDK2 KDM4E 990/4885ALDH1A1 2147/4885MAPT 2525/4885
US-20230348421-A1 5-HT2A RECEPTOR INHIBITOR OR INVERSE AGONIST, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF HTR2A, HTR1A, HTR5A KDM4E 3887/4885ALDH1A1 3155/4885MAPT 836/4885

“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.