SCHEMBL380516

SCHEMBL380516

C[SiH](C)OC(c1cncc(Br)c1)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL5822868 0.88
SCHEMBL1438558 0.81
SCHEMBL5198041 0.81 CHRNB2 (0.31)
SCHEMBL4712256 0.77
SCHEMBL7310726 0.75 IDO1 (0.39) CYP3A4
SCHEMBL507894 0.74 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19SMN1; SMN2
SCHEMBL5398668 0.72 CFTR (0.42) SMN1; SMN2
SCHEMBL1577314 0.72 S1PR1 (0.40)
SCHEMBL5198238 0.72 CXCR2 (0.32)
SCHEMBL14141943 0.71

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598192-B2 Hydroxylamine substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-12-03 US disclosed
EP-2086938-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-01-25 EP disclosed
US-8058272-B2 Organic compounds NOVARTIS AG (CH) 2011-11-15 US disclosed
US-7897767-B2 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 US disclosed
US-20100048571-A1 Organic Compounds NOVARTIS AG 2010-02-25 US disclosed
US-7598382-B2 Aryl substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-10-06 US disclosed
EP-2086938-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2009-08-12 EP disclosed
EP-1682544-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-05-06 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP disclosed
US-5719166-A TREATING PSYCHOSES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-02-17 US disclosed
EP-0532177-B1 Methanoanthracenes as dopamine antagonists ZENECA LTD (GB) 1996-10-16 EP disclosed
US-5550136-A ANTAGONISTS OF DOPAMINE D-2 RECEPTORS ZENECA LIMITED (GB) 1996-08-27 US disclosed
US-5399568-A Dopamine antagonists IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-03-21 US disclosed
EP-0532177-A1 Methanoanthracenes as dopamine antagonists ZENECA LIMITED (GB) 1993-03-17 EP 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-20020019531-A1 Indoles INMT, MUSK, MB CYP1A2 2772/4885CYP3A4 2377/4885CYP2C19 2461/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 CYP1A2 1842/4885CYP3A4 1529/4885CYP2C19 2178/4885
US-20100048571-A1 Organic Compounds XIAP, BAX, MCL1 CYP1A2 3782/4885CYP3A4 3275/4885CYP2C19 4114/4885

“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.