SCHEMBL17809532

SCHEMBL17809532

CN1CCc2c1ccc(-c1cnn(C)c1)c2CO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ ROCK2 O75116 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ CDC42BPB Q9Y5S2 1/20 0.36
▸ BRD4 O60885 6/20 0.35
▸ PDK2 Q15119 2/20 0.35
▸ SMARCA2 P51531 1/20 0.34
▸ SMARCA4 P51532 1/20 0.34
▸ CCL2 P13500 3/20 0.34
▸ IRAK1 P51617 2/20 0.33
▸ BMPR1A P36894 1/20 0.33
▸ ACVRL1 P37023 1/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ CGAS Q8N884 1/20 0.33
▸ TRIM24 O15164 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ INCENP Q9NQS7 1/20 0.33
▸ TPX2 Q9ULW0 1/20 0.33

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
SCHEMBL17806252 0.85 GRM5 (0.37) GRM5GRM1ROCK2ROCK1CDC42BPB
SCHEMBL17785937 0.84 RAB9A (0.39) GRM5GRM1BRD4CGASTRIM24
SCHEMBL17809615 0.81 BRD4 (0.38) GRM5GRM1ROCK2ROCK1CDC42BPB
SCHEMBL17809602 0.80 BRD4 (0.41) ROCK2ROCK1CDC42BPBBRD4PDK2
SCHEMBL17795276 0.79 GPR119 (0.42) BRD4IRAK1
SCHEMBL23055771 0.76 GRM5 (0.45) GRM5GRM1BRD4PDK2SMARCA2
SCHEMBL17809797 0.72 CREBBP (0.39) ROCK2ROCK1CDC42BPBBRD4CREBBP
SCHEMBL17795269 0.71 — —
SCHEMBL17795471 0.68 BRD4 (0.35) BRD4PDK2SMARCA2SMARCA4CCL2
SCHEMBL17785818 0.67 RAB9A (0.41) BRD4TRIM24CREBBPCCNCCDK8

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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2017-11-23 — — US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 — — US disclosed
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2016-06-09 — — 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-20170333406-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 GRM5 3767/4885GRM1 3383/4885ROCK2 2944/4885
US-20160158207-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, HDAC1, HDAC10 GRM5 3767/4885GRM1 3383/4885ROCK2 2944/4885

“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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