SCHEMBL10243879

SCHEMBL10243879

O=C(c1ccc2c(c1)OCCO2)N1C2CCC1CC(c1cccc(-c3ccccc3)c1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ HTT P42858 1/20 0.46
▸ TSHR P16473 3/20 0.46
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ HDAC4 P56524 1/20 0.42
▸ MGLL Q99685 1/20 0.42
▸ MEN1 O00255 1/20 0.42

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
SCHEMBL10243986 0.91 ALDH1A1 (0.54) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL2682674 0.91 ALDH1A1 (0.54) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL2682992 0.87 MGLL (0.53) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL10243790 0.87 MGLL (0.53) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL10244017 0.85 TSHR (0.53) ALDH1A1TSHRSMN1; SMN2HPGDMGLL
SCHEMBL17350838 0.84 ALDH1A1 (0.46) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL10243912 0.84 ALDH1A1 (0.46) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL10244105 0.83 NPC1 (0.53) ALDH1A1TSHRMAPTKDM4ELMNA
SCHEMBL1825398 0.83 NPC1 (0.53) ALDH1A1TSHRMAPTKDM4ELMNA
SCHEMBL17350566 0.83 ALDH1A1 (0.43) ALDH1A1HTTTSHRGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 — — EP disclosed
EP-2318403-B1 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INT (DE) 2015-12-23 — — EP disclosed
US-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 — — US disclosed
WO-2010023161-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-04 — — 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 (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-20120115853-A1 Aryl- and Heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD11B2, HSD17B1 ALDH1A1 141/4885HTT 2290/4885TSHR 2580/4885

“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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