SCHEMBL23383886

SCHEMBL23383886

CC1(OCC(=O)NCCCNC(=O)COC2(C)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ FAAH O00519 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CASP2 P42575 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ NAMPT P43490 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ LGALS1 P09382 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
SCHEMBL23357914 0.73 ATF4 (0.42) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL8326097 0.70 TSHR (0.54) FAAHMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL24158919 0.66 CTSD (0.31) NPSR1
SCHEMBL13411276 0.65 FAAH (0.47) FAAHMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL25942492 0.65 MEN1 (0.43) FAAHMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL7786356 0.64 FAAH (0.55) FAAHMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8537389 0.64 FAAH (0.55) FAAHMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL27410603 0.64 CYP2C19 (0.43) CYP2C19FAAHMEN1KMT2ATSHR
SCHEMBL22837680 0.64 TSHR (0.43) FAAHMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL15500725 0.64 TSHR (0.47) FAAHMEN1KMT2ATSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210145771-A1 N-(3-(2-(4-CHLOROPHENOXY)ACETAMIDO)BICYCLO[1.1.1] PENTAN-1-YL)-2-CYCLOBUTANE-1- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-20 — — US 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-20210145771-A1 N-(3-(2-(4-CHLOROPHENOXY)ACETAMIDO)BICYCLO[1.1.1] PENTAN-1-YL)-2-CYCLOBUTANE-1- CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS ATF4 INHIBITORS FOR TREATING CANCER AND OTHER DISEASES ATF4, EIF2B1, EIF4A1 CYP3A4 2357/4885CYP2C19 3695/4885FAAH 2790/4885

“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.

Send feedback