SCHEMBL2682992

SCHEMBL2682992

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.53
▸ CTNNB1 P35222 1/20 0.49
▸ OPRM1 P35372 6/20 0.46
▸ OPRD1 P41143 6/20 0.46
▸ TSHR P16473 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ RECQL P46063 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.42
▸ TERT O14746 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
SCHEMBL10243790 1.00 MGLL (0.53) MGLLCTNNB1OPRM1OPRD1TSHR
SCHEMBL10243986 0.89 ALDH1A1 (0.54) CTNNB1TSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL2682674 0.89 ALDH1A1 (0.54) CTNNB1TSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL10243945 0.87 TSHR (0.48) MGLLCTNNB1TSHRHPGDSMN1; SMN2
SCHEMBL17350804 0.87 TSHR (0.48) MGLLCTNNB1TSHRHPGDSMN1; SMN2
SCHEMBL10244017 0.87 TSHR (0.53) MGLLOPRM1OPRD1TSHRHPGD
SCHEMBL10243879 0.87 ALDH1A1 (0.48) MGLLCTNNB1TSHRHPGDSMN1; SMN2
SCHEMBL10244105 0.85 NPC1 (0.53) CTNNB1TSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL1825398 0.85 NPC1 (0.53) CTNNB1TSHRHPGDSMN1; SMN2ALDH1A1
SCHEMBL17350566 0.85 ALDH1A1 (0.43) MGLLOPRM1OPRD1TSHRHPGD

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 MGLL 164/4885CTNNB1 761/4885OPRM1 1008/4885

“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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