SCHEMBL3972801

SCHEMBL3972801

CC(C)CN1C[CH]CCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.35
CYP2D6 P10635 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 3/20 0.31
USP2 O75604 2/20 0.31
TSHR P16473 2/20 0.31
CYP2C19 P33261 1/20 0.31
HTR7 P34969 1/20 0.31
CYP1A2 P05177 2/20 0.30
MEN1 O00255 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL16799213 0.86
SCHEMBL17420940 0.83 MEN1 (0.35) MEN1KMT2A
SCHEMBL13656163 0.81 PIK3CD (0.34) PIK3CDCYP2D6SMN1; SMN2CYP3A4USP2
SCHEMBL250188 0.79
SCHEMBL2099317 0.79 ARG1 (0.31)
SCHEMBL3318888 0.78
SCHEMBL14746846 0.76
SCHEMBL101925 0.73
SCHEMBL426429 0.73
SCHEMBL4924066 0.73

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114127065-A Compounds for the treatment of neurodegenerative diseases and cancer 鸿仪有限责任公司 2022-03-01 CN claimed
CN-114127065-A Compounds for the treatment of neurodegenerative diseases and cancer 鸿仪有限责任公司 2022-03-01 CN disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed
US-7381825-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2008-06-03 US disclosed
US-7375228-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2008-05-20 US disclosed
US-7169801-B2 Histone deacetylase inhibitors TAKEDA SAN DIEGO, INC. (US) 2007-01-30 US disclosed
US-20050137232-A1 Histone deacetylase inhibitors SYRRX, INC. 2005-06-23 US disclosed
EP-0858452-B1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMA CO LTD (JP) 2002-03-13 EP disclosed
CN-1070856-C Thiazole derivatives OTSUDA PHARMACEUTICAL CO LTD (JP) 2001-09-12 CN disclosed
US-6140330-A USEFUL AS PROTEIN KINASE INHIBITOR; FOR TREATMENT OF AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, SYSTEMIC LUPUS ERYTHEMATOSUS, MULTIPLE SCLEROSIS, PSORIASIS, ETC., VARIOUS ALLERGIC DISEASES SUCH AS CROHN'S DISEASE, ASTHMA OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-10-31 US disclosed
CN-1198160-A Thiazole derivative OTSUKA PHARMA CO LTD (JP) 1998-11-04 CN disclosed
EP-0858452-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed
WO-1998004536-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-02-05 WO disclosed
EP-0280873-A1 Piperidines, medicines containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-09-07 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 (1 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-20050137232-A1 Histone deacetylase inhibitors HDAC1, HDAC11, HDAC10 PIK3CD 4225/4885CYP2D6 4347/4885SMN1; SMN2 4292/4885

“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.