SCHEMBL10244680

SCHEMBL10244680

COc1ccccc1[C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 2/20 0.49
▸ WNT3A P56704 2/20 0.49
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TP53 P04637 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ PKM P14618 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 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
SCHEMBL17350634 1.00 CTNNB1 (0.49) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL17350821 0.85 ALDH1A1 (0.48) CTNNB1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10243969 0.85 ALDH1A1 (0.48) CTNNB1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10244111 0.84 ALDH1A1 (0.47) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL2682674 0.81 ALDH1A1 (0.54) CTNNB1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10243986 0.81 ALDH1A1 (0.54) CTNNB1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL17350576 0.81 SMN1; SMN2 (0.51) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL10243942 0.81 SMN1; SMN2 (0.51) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL10243840 0.81 SMN1; SMN2 (0.51) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL1825398 0.80 NPC1 (0.53) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2

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 CTNNB1 761/4885WNT3A 1512/4885NPC1 136/4885

“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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