SCHEMBL1859955

SCHEMBL1859955

CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(C(=O)CC#N)ccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.32
KCNH2 Q12809 4/20 0.32
TUBB4A P04350 3/20 0.31
TUBB P07437 3/20 0.31
TUBA3C P0DPH7 3/20 0.31
TUBA1B P68363 3/20 0.31
TUBA4A P68366 3/20 0.31
TUBB4B P68371 3/20 0.31
TUBB3 Q13509 3/20 0.31
TUBB2A Q13885 3/20 0.31
TUBB8 Q3ZCM7 3/20 0.31
TUBA3E Q6PEY2 3/20 0.31
TUBA1A Q71U36 3/20 0.31
TUBA1C Q9BQE3 3/20 0.31
TUBB6 Q9BUF5 3/20 0.31
TUBB2B Q9BVA1 3/20 0.31
TUBB1 Q9H4B7 3/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 2/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL17275595 0.80 RAPGEF4 (0.45) KDM4EHPGDHSD17B10SMN1; SMN2RAPGEF4
SCHEMBL1856356 0.76 KDM4E (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1860633 0.75 CACNA1H (0.36) RORCALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2502244 0.70 KDM4E (0.36) ALDH1A1KDM4ESMN1; SMN2MEN1GAA
SCHEMBL28979 0.69 HTR2A (0.49) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL3035285 0.68 AKR1C3 (0.39) ALDH1A1HPGDHDAC8SMN1; SMN2MEN1
SCHEMBL5154395 0.68 KDM4E (0.35) ALDH1A1KDM4EHDAC11HDAC8HDAC6
SCHEMBL413823 0.68 HTR2A (0.50)
SCHEMBL30967900 0.68 HTR2A (0.50)
SCHEMBL3327014 0.68 MAPT (0.33) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
WO-2010009290-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-01-21 WO disclosed
EP-2118067-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Siena Biotech S.p.A. (IT) 2009-11-18 EP disclosed
CN-101374810-A Modulators of alpha7 nicotinic acetylcholine receptors and therapeutic uses thereof SIENA BIOTECH SPA (IT) 2009-02-25 CN disclosed
EP-1991528-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF Siena Biotech S.p.A. (IT) 2008-11-19 EP disclosed
WO-2008087529-A1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH S.P.A. (IT) 2008-07-24 WO disclosed
WO-2007098826-A2 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF SIENA BIOTECH S.P.A. (IT) 2007-09-07 WO 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 RORC 244/4885KCNH2 1263/4885TUBB4A 1193/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 RORC 316/4885KCNH2 909/4885TUBB4A 1651/4885

“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.