SCHEMBL21042887

SCHEMBL21042887

CC(C)(C)CN(CCO)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ PIN1 Q13526 1/20 0.30

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
SCHEMBL9283784 0.81 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3PIN1
SCHEMBL9285301 0.80 DRD3 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL3429613 0.78 MAPT (0.33) SLC6A2SLC6A4
SCHEMBL1366763 0.78 MAPT (0.33) SLC6A2SLC6A4
SCHEMBL2484393 0.78 MAPT (0.33) SLC6A2SLC6A4
SCHEMBL19203896 0.75 — —
SCHEMBL4013802 0.75 MAPT (0.33) —
SCHEMBL9284811 0.75 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL12961069 0.73 MAPT (0.32) —
SCHEMBL9295854 0.73 DRD3 (0.35) —

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 SLC6A2 2038/4885SLC6A4 2127/4885SLC6A3 1759/4885
US-10577346-B2 Benzobicycloalkane derivatives, their preparation and pharmaceutical use thereof CYP3A7, UGT2B7, BDKRB1 SLC6A2 1757/4885SLC6A4 1976/4885SLC6A3 1983/4885

“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.

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