SCHEMBL10243882

SCHEMBL10243882

O=C(c1ccc2c(c1)OCCO2)N1C2CCC1CC(c1ccc(Cl)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.51
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ TSHR P16473 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ RECQL P46063 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CXCL12 P48061 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43

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
SCHEMBL10243945 0.89 TSHR (0.48) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL10243619 0.89 TSHR (0.48) MAOBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2683635 0.89 TSHR (0.48) MAOBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL17350804 0.89 TSHR (0.48) NPC1RAB9ASMN1; SMN2TSHRHPGD
SCHEMBL17350779 0.88 ALDH1A1 (0.53) MAOBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10243991 0.88 RAB9A (0.51) MAOBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10243793 0.88 MAOB (0.51) MAOBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2682577 0.88 MAOB (0.51) MAOBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10243800 0.88 ALDH1A1 (0.53) MAOBNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL17350898 0.88 RAB9A (0.51) MAOBNPC1RAB9ASMN1; SMN2TSHR

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 MAOB 401/4885NPC1 136/4885RAB9A 4154/4885

“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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