SCHEMBL21042902

SCHEMBL21042902

CCC(C)(C)N1CCC[C@@H](C(=O)OC)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
FKBP1A P62942 1/20 0.41
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
CREBBP Q92793 1/20 0.36

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
SCHEMBL21042903 0.84 SMN1; SMN2 (0.46) SMN1; SMN2FKBP1AALDH1A1GAAHTT
SCHEMBL15932274 0.84 SMN1; SMN2 (0.46) SMN1; SMN2FKBP1AALDH1A1GAAHTT
SCHEMBL19695784 0.83 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13515717 0.81 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL21042359 0.81 SMN1; SMN2 (0.53) SMN1; SMN2FKBP1AALDH1A1GAAHTT
SCHEMBL21042296 0.77 KDM4E (0.43) SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL35889 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TP53POLB
SCHEMBL10049540 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TP53POLB
SCHEMBL16718949 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TP53POLB
SCHEMBL10049180 0.75 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TP53POLB

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 2717/4885FKBP1A 911/4885ALDH1A1 424/4885
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof CYP3A7, UGT2B7, BDKRB1 SMN1; SMN2 2759/4885FKBP1A 1438/4885ALDH1A1 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.