SCHEMBL8285758

SCHEMBL8285758

CCCCOCCC1CCC(=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CRBN Q96SW2 1/20 0.35
TLR4 O00206 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL10215961 0.83 CYP1A2 (0.40) TSHRCYP3A4CYP1A2SMN1; SMN2CRBN
SCHEMBL11955253 0.83 SMN1; SMN2 (0.46) TSHRCYP3A4CYP1A2SMN1; SMN2CRBN
SCHEMBL918598 0.82 CYP1A2 (0.54) CYP1A2TLR4POLBKMT2AHPGD
SCHEMBL28837147 0.82 CYP1A2 (0.54) CYP1A2TLR4POLBKMT2AHPGD
SCHEMBL730083 0.80 CYP1A2 (0.52) CYP3A4CYP1A2TLR4KMT2A
SCHEMBL13107222 0.80 TSHR (0.46) TSHRCYP3A4CYP1A2SMN1; SMN2HRH3
SCHEMBL7756485 0.80 CYP1A2 (0.40) CYP1A2CRBNTLR4HRH3POLB
SCHEMBL8640867 0.79 CYP1A2 (0.50) CYP3A4CYP1A2TLR4KMT2A
SCHEMBL6736225 0.79 CYP1A2 (0.50) CYP3A4CYP1A2TLR4KMT2A
SCHEMBL7737007 0.79 CYP1A2 (0.50) CYP1A2TLR4POLBKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS DART NEUROSCIENCE LLC 2023-05-11 US disclosed
US-8410275-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2013-04-02 US disclosed
US-8232403-B2 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2012-07-31 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 WO disclosed
US-20070167452-A1 Therapeutic amide derivatives PFIZER, INC. 2007-07-19 US disclosed
WO-2005080317-A2 THERAPEUTIC AMIDE DERIVATIVES PFIZER JAPAN, INC. (JP) 2005-09-01 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 (3 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-20070167452-A1 Therapeutic amide derivatives GRIN1, GRIN2B, GRIN3A TSHR 1949/4885CYP3A4 3806/4885CYP1A2 3205/4885
US-20230144411-A1 SUBSTITUTED CYCLOHEXYL COMPOUNDS AS NOP INHIBITORS OPRL1, OPRK1, NOP56 TSHR 462/4885CYP3A4 1905/4885CYP1A2 1118/4885
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors CETP, LCAT, CES1 TSHR 4371/4885CYP3A4 471/4885CYP1A2 637/4885

“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.