SCHEMBL20640239

SCHEMBL20640239

Brc1cnc(-c2ccncc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
HPGDS O60760 1/20 0.43
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
IDO1 P14902 1/20 0.39
NOTUM Q6P988 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
CYP19A1 P11511 2/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2A6 P11509 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL775333 0.80 NPC1 (0.61) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL16222829 0.80 NPC1 (0.65) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL1877775 0.78 NPC1 (0.69) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL12786341 0.78 NPC1 (0.60) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL15089237 0.76 MAPT (0.52) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL25523097 0.76 MAPT (0.46) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL28663547 0.76 NPC1 (0.52) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL15801643 0.76 MAPT (0.46) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL1772821 0.74 RAB9A (0.48) NPC1RAB9AMAPTSMN1; SMN2NFKB1
SCHEMBL7466728 0.74 NPC1 (0.48) NPC1RAB9AMAPTLMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652157-B1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUENENTHAL GMBH (DE) 2021-05-05 EP disclosed
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUNENTHAL GMBH (DE) 2020-10-22 US disclosed
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives Grünenthal GmbH (DE) 2020-08-11 US disclosed
US-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 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 (3 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-20190016685-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 NPC1 297/4885RAB9A 2291/4885MAPT 162/4885
US-10738015-B2 1,3-diaza-spiro-[3.4]-octane derivatives OPRK1, OPRD1, OPRL1 NPC1 297/4885RAB9A 2291/4885MAPT 162/4885
US-20200331864-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES OPRK1, OPRD1, OPRL1 NPC1 297/4885RAB9A 2291/4885MAPT 162/4885

“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.