SCHEMBL2090136

SCHEMBL2090136

Cc1ccccc1-c1cc(N)nn1C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMARCA2 P51531 2/20 0.39
▸ SMARCA4 P51532 2/20 0.39
▸ PBRM1 Q86U86 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ BCHE P06276 1/20 0.35
▸ NR1H2 P55055 3/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35
▸ TUBB4B P68371 1/20 0.35
▸ TUBB3 Q13509 1/20 0.35
▸ TUBB2A Q13885 1/20 0.35
▸ TUBB8 Q3ZCM7 1/20 0.35
▸ TUBA3E Q6PEY2 1/20 0.35
▸ TUBA1A Q71U36 1/20 0.35

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
SCHEMBL1856174 0.86 SMARCA2 (0.39) SMARCA2SMARCA4PBRM1HSP90AA1HSP90AB1
SCHEMBL22206164 0.83 NR1H2 (0.42) HSP90AA1HSP90AB1NR1H2TUBB4ATUBB
SCHEMBL3500082 0.80 HDAC1 (0.41) HSP90AA1HSP90AB1MAPT
SCHEMBL3500812 0.79 TUBB4A (0.55) HSP90AA1HSP90AB1NR1H2TUBB4ATUBB
SCHEMBL28485002 0.77 TUBB4A (0.44) HSP90AA1HSP90AB1NR1H2TUBB4ATUBB
SCHEMBL23442870 0.77 TUBB4A (0.36) SMARCA2SMARCA4PBRM1HSP90AA1HSP90AB1
SCHEMBL161429 0.76 FAAH (0.39) SMARCA2SMARCA4PBRM1HSP90AA1HSP90AB1
SCHEMBL20576786 0.76 ADORA2A (0.45) PTGS1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL1857857 0.76 MAP2K4 (0.47) BCHENR1H2PTGS2TUBB4ATUBB
SCHEMBL3502016 0.75 HDAC2 (0.45) HSP90AA1HSP90AB1NR1H2PTGS2TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2118067-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS SIENA BIOTECH SPA (IT) 2013-05-08 — — EP disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 — — US 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
US-20090264648-A1 SYNTHESIS OF PYRAZOLES WYETH (US) 2009-10-22 — — 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 SMARCA2 3952/4885SMARCA4 4282/4885PBRM1 4542/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 SMARCA2 3728/4885SMARCA4 3968/4885PBRM1 4531/4885
US-20090264648-A1 SYNTHESIS OF PYRAZOLES CHRNA7, CHRNA5, CHRNA3 SMARCA2 3590/4885SMARCA4 3216/4885PBRM1 3706/4885

“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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