SCHEMBL10243717

SCHEMBL10243717

O=C(c1ccc2ncsc2c1)N1[C@@H]2CC[C@H]1C[C@@H](c1ccc(F)cc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
KDM4E B2RXH2 1/20 0.45
HKDC1 Q2TB90 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.43
CYP3A4 P08684 1/20 0.43
GAA P10253 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CHRNA7 P36544 1/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
HSD11B1 P28845 2/20 0.42
KDM1A O60341 1/20 0.42
OXTR P30559 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
SCHEMBL17350732 1.00 NPC1 (0.53) NPC1RAB9AKDM4EHKDC1TDP1
SCHEMBL10243858 0.92 SLC18A3 (0.44) NPC1RAB9AKDM1ASLC18A3SIGMAR1
SCHEMBL17350729 0.92 SLC18A3 (0.44) NPC1RAB9AKDM1ASLC18A3SIGMAR1
SCHEMBL10243740 0.82 KDM1A (0.48) NPC1RAB9AKDM1ASLC18A3SIGMAR1
SCHEMBL17351078 0.82 KDM1A (0.48) NPC1RAB9AKDM1ASLC18A3SIGMAR1
SCHEMBL10243883 0.80 POLB (0.57) NPC1RAB9AKDM4EL3MBTL1MEN1
SCHEMBL17350984 0.80 POLB (0.57) NPC1RAB9AKDM4EL3MBTL1MEN1
SCHEMBL17350905 0.78 HSD11B1 (0.51) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL10243989 0.78 HSD11B1 (0.51) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL10244068 0.77 SLC18A3 (0.42) NPC1RAB9AKDM4EMEN1KMT2A

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 NPC1 136/4885RAB9A 4154/4885KDM4E 3260/4885

“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.