SCHEMBL21042903

SCHEMBL21042903

COC(=O)[C@@H]1CCCN(C(C)(C)C)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
BRD4 O60885 1/20 0.38
GAA P10253 1/20 0.36
CREBBP Q92793 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
FKBP1A P62942 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL15932274 1.00 SMN1; SMN2 (0.46) SMN1; SMN2TP53ALDH1A1POLBBRD4
SCHEMBL25609365 0.89 SMN1; SMN2 (0.51) SMN1; SMN2TP53ALDH1A1POLBBRD4
SCHEMBL21042902 0.84 SMN1; SMN2 (0.42) SMN1; SMN2TP53ALDH1A1POLBGAA
SCHEMBL8259396 0.82 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBHTTKDM4E
SCHEMBL15998913 0.81 ATM (0.47) SMN1; SMN2TP53ALDH1A1POLBBRD4
SCHEMBL21042943 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL12102748 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL4971987 0.80 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1GAAATM
SCHEMBL2606791 0.80 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1POLBKDM4E
SCHEMBL11923163 0.80 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1GAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-03-03 US disclosed
US-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2019-05-30 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 (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-20190161468-A1 BENZODICYCLOALKANE DERIVATIVE, PREPARATION METHOD AND USE THEREOF CYP3A7, CYP2A7, CYP2J2 SMN1; SMN2 2717/4885TP53 4374/4885ALDH1A1 424/4885
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof CYP3A7, UGT2B7, BDKRB1 SMN1; SMN2 2759/4885TP53 4161/4885ALDH1A1 440/4885

“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.