SCHEMBL3518184

SCHEMBL3518184

Cc1nn(C[C@@H](F)CO[Si](C)(C)C(C)(C)C)c(=O)n1-c1ccn(C)n1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.32
RAB9A P51151 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
DUT P33316 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3518188 1.00 NPC1 (0.32) NPC1RAB9ASMN1; SMN2CYP2C19CYP2C9
SCHEMBL3520369 1.00 NPC1 (0.32) NPC1RAB9ASMN1; SMN2CYP2C19CYP2C9
SCHEMBL3522238 0.80 POLB (0.35) NPC1RAB9ASMN1; SMN2CYP2C19BRD9
SCHEMBL3519124 0.80 POLB (0.35) NPC1RAB9ASMN1; SMN2CYP2C19BRD9
SCHEMBL3519121 0.80 POLB (0.35) NPC1RAB9ASMN1; SMN2CYP2C19BRD9
SCHEMBL12012266 0.77 CYP2C19 (0.36) NPC1RAB9ASMN1; SMN2CYP2C19POLB
SCHEMBL3525417 0.70 DUT (0.30) DUT
SCHEMBL3522270 0.66 DUT (0.31) DUT
SCHEMBL3541205 0.66 DUT (0.31) DUT
SCHEMBL3522273 0.66 DUT (0.31) DUT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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 (2 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 NPC1 366/4885RAB9A 1326/4885SMN1; SMN2 196/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 NPC1 366/4885RAB9A 1326/4885SMN1; SMN2 196/4885

“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.