SCHEMBL10244022

SCHEMBL10244022

O=C(c1ccc2c(c1)OCCO2)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(Oc3ccccc3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ HTT P42858 1/20 0.45
▸ TSHR P16473 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ PARP14 Q460N5 3/20 0.43
▸ PARP10 Q53GL7 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ MAOB P27338 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
SCHEMBL17350791 1.00 CASP3 (0.47) CASP3SENP8SENP7SENP6ALDH1A1
SCHEMBL2682674 0.90 ALDH1A1 (0.54) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL10243986 0.90 ALDH1A1 (0.54) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL10243840 0.87 SMN1; SMN2 (0.51) ALDH1A1HTTTSHRMAPTLMNA
SCHEMBL10243942 0.87 SMN1; SMN2 (0.51) ALDH1A1HTTTSHRMAPTLMNA
SCHEMBL17350576 0.87 SMN1; SMN2 (0.51) ALDH1A1HTTTSHRMAPTLMNA
SCHEMBL10243619 0.87 TSHR (0.48) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL2683635 0.87 TSHR (0.48) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL10243912 0.85 ALDH1A1 (0.46) ALDH1A1HTTTSHRGAAMAPT
SCHEMBL17350838 0.85 ALDH1A1 (0.46) 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 2 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
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

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 CASP3 1261/4885SENP8 3024/4885SENP7 2203/4885

“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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