SCHEMBL29987993

SCHEMBL29987993

C[C@@H]1CCC2c3ccccc3C1N2C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.44
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
HSD11B1 P28845 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ABCB1 P08183 1/20 0.39
KDM1A O60341 1/20 0.38
BCHE P06276 1/20 0.38
NAMPT P43490 1/20 0.38
TERT O14746 1/20 0.37

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
SCHEMBL29987921 1.00 GPR119 (0.44) GPR119CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL29987914 1.00 GPR119 (0.44) GPR119CYP3A4CYP2D6CYP2C9ALDH1A1
SCHEMBL13137753 0.88 GPR119 (0.47) GPR119MAPK1KDM4EPKMHSD11B1
SCHEMBL23611543 0.88 CHRM2 (0.42) GPR119KDM4EPKMHSD11B1CHRM2
Hydrochloric Acid SCHEMBL30041068 0.87 GPR119 (0.46) GPR119MAPK1KDM4EPKMHSD11B1
SCHEMBL29987990 0.86 GPR119 (0.40) GPR119KDM4EPKMHSD11B1CHRM2
SCHEMBL23611614 0.85 CHRM2 (0.40) GPR119ALDH1A1KDM4EPKMHSD11B1
SCHEMBL23611546 0.81 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9ALDH1A1LMNA
SCHEMBL23611571 0.81 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9ALDH1A1LMNA
SCHEMBL23611591 0.81 CYP3A4 (0.46) CYP3A4CYP2D6CYP2C9ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118324762-A Compounds and compositions for treating CNS disorders 布鲁奥科制药有限公司 2024-07-12 CN disclosed
US-20230116114-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. 2023-04-13 US disclosed
EP-4084797-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS Blue Oak Pharmaceuticals, Inc. (US) 2022-11-09 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-20230116114-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS PMP22, CHAT, ACHE GPR119 1242/4885CYP3A4 1398/4885CYP2D6 556/4885

“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.