SCHEMBL22098703

SCHEMBL22098703

COCCN1CCN(C(C)(C)C)CC1C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
DRD3 P35462 1/20 0.34
SIGMAR1 Q99720 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL13849313 1.00 GBA1 (0.35) GBA1DRD3SIGMAR1ALDH1A1
SCHEMBL19958962 0.85 DRD3 (0.31) DRD3
SCHEMBL27027460 0.85 DRD3 (0.31) DRD3
SCHEMBL3345331 0.79 AGL (0.32) GBA1
SCHEMBL22360701 0.78 GBA1 (0.39) GBA1DRD3SIGMAR1
SCHEMBL29341763 0.78 GBA1 (0.39) GBA1DRD3SIGMAR1
SCHEMBL23205043 0.77 KCNJ1 (0.39) GBA1DRD3SIGMAR1ALDH1A1
SCHEMBL21039435 0.77 GBA1 (0.34) GBA1
SCHEMBL25608578 0.77 KCNJ1 (0.39) GBA1DRD3SIGMAR1ALDH1A1
SCHEMBL12942344 0.76 SIGMAR1 (0.36) SIGMAR1

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-11129832-B2 Biheteroaryl compounds and uses thereof GENENTECH, INC. (US) 2021-09-28 US disclosed
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-06-18 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-11129832-B2 Biheteroaryl compounds and uses thereof BCHE, SNCA, HAX1 GBA1 26/4885DRD3 1056/4885SIGMAR1 1145/4885
US-20200188397-A1 BIHETEROARYL COMPOUNDS AND USES THEREOF BCHE, SNCA, HAX1 GBA1 26/4885DRD3 1056/4885SIGMAR1 1145/4885

“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.