SCHEMBL17063231

SCHEMBL17063231

C[Si](C)(C)C#Cc1ccc2c(ccn2CC2CCN(C(=O)c3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.43
BRD4 O60885 1/20 0.42
NAMPT P43490 1/20 0.42
OXTR P30559 3/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.41
ACHE P22303 1/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL17063391 0.85 F2 (0.44) KDM4EF2ACHEFAAH
SCHEMBL17063332 0.85 KDM4E (0.44) GRM5NAMPTKDM4EF2ACHE
SCHEMBL17458544 0.82 POLB (0.42)
SCHEMBL17063383 0.80 KDM4E (0.46) BRD4NAMPTKDM4EF2ACHE
SCHEMBL17458539 0.78 FAAH (0.42) ACHEFAAH
SCHEMBL17458537 0.78 LMNA (0.40) ACHE
SCHEMBL19461153 0.75 NAMPT (0.47) BRD4NAMPTKDM4EACHEFAAH
SCHEMBL17063251 0.75 NAMPT (0.43) BRD4NAMPTKDM4EF2ACHE
SCHEMBL17063363 0.74 HTR2B (0.41) BRD4NAMPTKDM4EF2ACHE
SCHEMBL17069458 0.72 ROCK2 (0.42) BRD4NAMPTOXTRKDM4EACHE

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
EP-3116504-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF Innov17 LLC (US) 2017-01-18 EP disclosed
WO-2015138276-A2 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC (US) 2015-09-17 WO disclosed
US-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF INNOV17 LLC 2015-09-10 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 (1 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-20150252022-A1 RETINOIC ACID RECEPTOR-RELATED ORPHAN RECEPTOR MODULATORS AND USES THEREOF RARA, RARB, RARG GRM5 512/4885BRD4 4543/4885NAMPT 1918/4885

“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.