SCHEMBL10243988

SCHEMBL10243988

O=C(c1ccc2[nH]ncc2c1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 2/20 0.52
WNT3A P56704 2/20 0.52
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CCNC P24863 3/20 0.49
CDK8 P49336 3/20 0.49
GRIN2B Q13224 2/20 0.48
RPS6KB1 P23443 3/20 0.43
ROCK1 Q13464 3/20 0.43
RPS6KA1 Q15418 2/20 0.43
GRK2 P25098 1/20 0.43
GRK5 P34947 1/20 0.43
HSD11B1 P28845 2/20 0.42
SLC18A3 Q16572 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
MAOB P27338 2/20 0.41
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
CLK2 P49760 1/20 0.40

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
SCHEMBL2682867 1.00 CTNNB1 (0.52) CTNNB1WNT3ANPC1RAB9ACCNC
SCHEMBL17350595 0.83 NPC1 (0.48) NPC1RAB9AHSD11B1SLC18A3SIGMAR1
SCHEMBL10243905 0.83 NPC1 (0.48) NPC1RAB9AHSD11B1SLC18A3SIGMAR1
SCHEMBL10243665 0.81 HSD11B1 (0.42) CCNCCDK8HSD11B1SLC18A3SIGMAR1
SCHEMBL17350637 0.81 HSD11B1 (0.42) CCNCCDK8HSD11B1SLC18A3SIGMAR1
SCHEMBL17350984 0.80 POLB (0.57) NPC1RAB9AHSD11B1SLC18A3SIGMAR1
SCHEMBL10243883 0.80 POLB (0.57) NPC1RAB9AHSD11B1SLC18A3SIGMAR1
SCHEMBL10244152 0.79 SLC18A3 (0.43) NPC1RAB9ACCNCCDK8HSD11B1
SCHEMBL17350946 0.79 SLC18A3 (0.43) NPC1RAB9ACCNCCDK8HSD11B1
SCHEMBL10243769 0.79 ESR1 (0.49) NPC1RAB9ASLC18A3SIGMAR1KDM1A

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.