SCHEMBL2683635

SCHEMBL2683635

O=C(O)c1ccc(C2CC3CCC(C2)N3C(=O)c2ccc3c(c2)OCCO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.48
▸ HPGD P15428 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ RECQL P46063 1/20 0.46
▸ STAT3 P40763 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ SRD5A2 P31213 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ PKM P14618 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ RAB9A P51151 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
SCHEMBL10243619 1.00 TSHR (0.48) TSHRHPGDSMN1; SMN2ALDH1A1RECQL
SCHEMBL10243986 0.92 ALDH1A1 (0.54) TSHRHPGDSMN1; SMN2ALDH1A1RECQL
SCHEMBL2682674 0.92 ALDH1A1 (0.54) TSHRHPGDSMN1; SMN2ALDH1A1RECQL
SCHEMBL17350804 0.91 TSHR (0.48) TSHRHPGDSMN1; SMN2ALDH1A1RECQL
SCHEMBL10243945 0.91 TSHR (0.48) TSHRHPGDSMN1; SMN2ALDH1A1RECQL
SCHEMBL17350779 0.89 ALDH1A1 (0.53) TSHRHPGDSMN1; SMN2ALDH1A1RECQL
SCHEMBL10243991 0.89 RAB9A (0.51) TSHRHPGDSMN1; SMN2ALDH1A1RECQL
SCHEMBL10243800 0.89 ALDH1A1 (0.53) TSHRHPGDSMN1; SMN2ALDH1A1RECQL
SCHEMBL10243793 0.89 MAOB (0.51) TSHRHPGDSMN1; SMN2ALDH1A1RECQL
SCHEMBL10243882 0.89 MAOB (0.51) TSHRHPGDSMN1; SMN2ALDH1A1RECQL

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 3 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-8609690-B2 Aryl- and heteroarylcarbonyl derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-17 — — US 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 TSHR 2580/4885HPGD 154/4885SMN1; SMN2 3849/4885

“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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