SCHEMBL10243773

SCHEMBL10243773

COc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[C@@H](c2ccc(F)cc2)C3)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.55
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CPS1 P31327 6/20 0.45
HCRTR2 O43614 3/20 0.43
HCRTR1 O43613 1/20 0.43
KDM2B Q8NHM5 3/20 0.43
TRPC6 Q9Y210 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
SCHEMBL17350994 1.00 HSD11B1 (0.55) HSD11B1GAASMN1; SMN2NPC1RAB9A
SCHEMBL17350865 0.86 KMT2A (0.52) HSD11B1GAASMN1; SMN2RAB9ALMNA
SCHEMBL10243751 0.86 KMT2A (0.52) HSD11B1GAASMN1; SMN2RAB9ALMNA
SCHEMBL10243899 0.82 ALDH1A1 (0.53) HSD11B1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17350908 0.82 ALDH1A1 (0.53) HSD11B1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17350607 0.81 ALDH1A1 (0.48) HSD11B1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL10243938 0.81 ALDH1A1 (0.48) HSD11B1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL10244092 0.81 HTR4 (0.50) GAA
SCHEMBL17350852 0.81 HTR4 (0.50) GAA
SCHEMBL17350931 0.81 HSD11B1 (0.56) HSD11B1NPC1RAB9AALDH1A1LMNA

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 HSD11B1 1/4885GAA 296/4885SMN1; 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.