SCHEMBL22674472

SCHEMBL22674472

COc1ccc(CN2CC[C@H](C)[C@H](C=O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.49
HRH2 P25021 1/20 0.48
SIGMAR1 Q99720 2/20 0.48
KDM4E B2RXH2 1/20 0.47
PTGIR P43119 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLC18A3 Q16572 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TACR1 P25103 1/20 0.46

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
SCHEMBL22674287 1.00 DRD4 (0.49) DRD4HRH2SIGMAR1KDM4EPTGIR
SCHEMBL22674824 1.00 DRD4 (0.49) DRD4HRH2SIGMAR1KDM4EPTGIR
SCHEMBL29533955 1.00 DRD4 (0.49) DRD4HRH2SIGMAR1KDM4EPTGIR
SCHEMBL12951976 0.83 SIGMAR1 (0.55) DRD4HRH2SIGMAR1KDM4EPTGIR
SCHEMBL493570 0.79 SIGMAR1 (0.58) SIGMAR1PTGIRSMN1; SMN2MEN1KMT2A
SCHEMBL13726456 0.79 SIGMAR1 (0.57) DRD4HRH2SIGMAR1KDM4EPTGIR
SCHEMBL22488321 0.77 ALDH1A1 (0.57) DRD4SIGMAR1KDM4ESMN1; SMN2SLC18A3
SCHEMBL22488317 0.77 ALDH1A1 (0.57) DRD4SIGMAR1KDM4ESMN1; SMN2SLC18A3
SCHEMBL13650590 0.77 ALDH1A1 (0.57) DRD4SIGMAR1KDM4ESMN1; SMN2SLC18A3
SCHEMBL14198701 0.77 KDM4E (0.57) DRD4HRH2SIGMAR1KDM4EPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220242886-A1 CHEMICAL COMPOUNDS CANAAN XII L.P. 2022-08-04 US disclosed
EP-3969458-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2022-03-23 EP disclosed
US-20210188879-A1 CHEMICAL COMPOUNDS CANAAN XII L.P. 2021-06-24 US disclosed
WO-2020232470-A1 CHEMICAL COMPOUNDS Boragen, Inc. (US) 2020-11-19 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 (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-20210188879-A1 CHEMICAL COMPOUNDS JAK2, JAK1, JAK3 DRD4 3942/4885HRH2 881/4885SIGMAR1 3466/4885
US-20220242886-A1 CHEMICAL COMPOUNDS JAK2, JAK1, JAK3 DRD4 3942/4885HRH2 881/4885SIGMAR1 3466/4885

“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.