SCHEMBL5963417

SCHEMBL5963417

O=C1CCCC(Cc2ccccc2)N1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSD P07339 2/20 0.56
POLB P06746 1/20 0.53
DDB1 Q16531 1/20 0.49
CRBN Q96SW2 1/20 0.49
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
TACR2 P21452 2/20 0.42
HDAC8 Q9BY41 2/20 0.41

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
SCHEMBL17305281 1.00 CTSD (0.56) CTSDPOLBDDB1CRBNTSHR
SCHEMBL6970123 0.95 CTSD (0.58) CTSDPOLBDDB1CRBNTACR2
SCHEMBL23459341 0.95 CTSD (0.58) CTSDPOLBDDB1CRBNTACR2
SCHEMBL2132646 0.89 CTSD (0.59) CTSDPOLBDDB1CRBNTACR2
SCHEMBL8270781 0.89 CTSD (0.59) CTSDPOLBDDB1CRBNTACR2
SCHEMBL19419777 0.89 CTSD (0.59) CTSDPOLBDDB1CRBNTACR2
SCHEMBL5963304 0.83 CTSD (0.43) CTSD
SCHEMBL76518 0.83 CTSD (0.45) CTSDPOLBDDB1CRBN
SCHEMBL5966548 0.83 CTSD (0.45) CTSDPOLBCRBN
SCHEMBL6977367 0.81 CTSD (0.41) CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240246965-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE EQUINORM LTD 2024-07-25 US disclosed
EP-4313985-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE Equinorm Ltd (FI) 2024-02-07 EP disclosed
CN-117412975-A Heterocyclic compounds and their use 伊科诺姆有限公司 2024-01-16 CN disclosed
US-20230226035-A1 SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2023-07-20 US disclosed
WO-2022207979-A2 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE EQUINORM LTD (FI) 2022-10-06 WO disclosed
WO-2017161119-A1 SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-09-21 WO disclosed
CN-1317790-C Nonaqueous electrolyte and secondary lithium battery using the same MITSUBISHI CHEM CORP (JP) 2007-05-23 CN disclosed
US-20060172201-A1 Non-aqueous electrolyte and lithium secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-03 US disclosed
EP-1357628-A1 NONAQUEOUS ELECTROLYTIC LIQUIDS AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-10-29 EP disclosed
CN-1411619-A Nonaqueous electrolyte and secondary lithium battery using the same MITSUBISHI CHEM CORP (JP) 2003-04-16 CN 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-20240246965-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE CNR1, CNR2, OPRK1 CTSD 4161/4885POLB 4293/4885DDB1 4421/4885
US-20230226035-A1 SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION CD4, CRBN, GZMB CTSD 454/4885POLB 4402/4885DDB1 3336/4885

“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.