SCHEMBL21237367

SCHEMBL21237367

CCc1cncc2c(C(C)(C)C)cccc12

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
CA2 P00918 1/20 0.35
KIF11 P52732 1/20 0.34
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
NLRP3 Q96P20 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21237270 0.86 CA2 (0.39) GABRA1GABRB2CA2KIF11CREBBP
SCHEMBL19725752 0.80 GABRA1 (0.41) GABRA1GABRB2BRD4CREBBPALDH1A1
SCHEMBL21237269 0.77 GABRA1 (0.42) GABRA1GABRB2CA2KIF11NLRP3
SCHEMBL19660438 0.77 CYP2A6 (0.44) GABRA1GABRB2NLRP3BRD4CREBBP
SCHEMBL21237180 0.76 KDM5A (0.36) CA2ALDH1A1
SCHEMBL20012925 0.75 NOS2 (0.41) GABRA1GABRB2BRD4CREBBPALDH1A1
SCHEMBL21237195 0.75 CYP1A2 (0.38) GABRA1GABRB2CA2KIF11ALDH1A1
SCHEMBL21237177 0.75 CA2 (0.34) GABRA1GABRB2CA2KIF11CREBBP
SCHEMBL21237268 0.72 CA2 (0.35) GABRA1GABRB2CA2KIF11ALDH1A1
SCHEMBL2605773 0.68 CYP2E1 (0.39) CA2KIF11ALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2022-04-28 US disclosed
US-11247989-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2022-02-15 US disclosed
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2019-08-08 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 (3 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-11247989-B2 Therapeutic compounds and uses thereof EP300, HDAC1, CREBBP GABRA1 2040/4885GABRB2 2380/4885CA2 3042/4885
US-20190241558-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP GABRA1 2040/4885GABRB2 2380/4885CA2 3042/4885
US-20220127265-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, CREBBP GABRA1 2040/4885GABRB2 2380/4885CA2 3042/4885

“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.