SCHEMBL17063391

SCHEMBL17063391

C[Si](C)(C)C#Cc1ccc2c(ccn2CC2CCN(C(=O)CCc3ccccc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.44
POLB P06746 1/20 0.43
GRIN2B Q13224 1/20 0.43
FAAH O00519 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACHE P22303 1/20 0.41
FKBP1A P62942 1/20 0.40
YAP1 P46937 4/20 0.40
NPC1 O15118 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
P2RX3 P56373 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL17063240 0.86 POLB (0.50) F2POLBGRIN2BFAAHACHE
SCHEMBL17063231 0.85 GRM5 (0.43) F2FAAHACHEKDM4E
SCHEMBL17458539 0.82 FAAH (0.42) POLBGRIN2BFAAHACHESMN1; SMN2
SCHEMBL17063266 0.81 POLB (0.50) F2POLBGRIN2BFAAHACHE
SCHEMBL17458544 0.79 POLB (0.42) POLBMEN1KMT2AALDH1A1
SCHEMBL17063404 0.78 WNT1 (0.48) F2POLBGRIN2BACHEALDH1A1
SCHEMBL17069505 0.78 F2 (0.43) F2POLBGRIN2BFAAHMEN1
SCHEMBL17063288 0.78 F2 (0.43) F2POLBGRIN2BFAAHMEN1
SCHEMBL17069490 0.78 GRIN2B (0.51) F2POLBGRIN2BFAAHACHE
SCHEMBL17069488 0.78 F2 (0.43) F2POLBGRIN2BFAAHMEN1

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 F2 4860/4885POLB 3179/4885GRIN2B 1184/4885

“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.