SCHEMBL23869876

SCHEMBL23869876

CN(CCc1nnc(-c2ncccn2)nn1)C(=O)CCCC(=O)NC(CO)(CO)CO

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC6 Q9UBN7 9/20 0.33
HRH3 Q9Y5N1 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL23869881 0.82 NPC1 (0.41) NPC1POLBRAB9APDE3BPDE3A
SCHEMBL23897412 0.72 NPC1 (0.34) NPC1POLBRAB9A
SCHEMBL23869878 0.72 NPC1 (0.34) NPC1POLBRAB9A
SCHEMBL23869734 0.67 SMN1; SMN2 (0.35)
SCHEMBL23854636 0.65 MCHR1 (0.49) NPC1RAB9AHDAC6
SCHEMBL23869882 0.62 SMN1; SMN2 (0.43) HDAC6
SCHEMBL1299755 0.61 TP53 (0.32)
SCHEMBL21795201 0.60 HRH3 (0.61) NPC1RAB9AHDAC6HRH3
SCHEMBL23869714 0.59 HRH3 (0.53) NPC1POLBRAB9AHDAC6HRH3
SCHEMBL22828585 0.59 HRH3 (0.53) NPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3788032-B1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY TAGWORKS PHARMACEUTICALS B V (NL) 2024-01-24 EP disclosed
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-10-07 US disclosed
US-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD TAGWORKS PHARMACEUTICALS B.V. (NL) 2021-09-30 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-20210299286-A1 TETRAZINES FOR HIGH CLICK CONJUGATION YIELD IN VIVO AND HIGH CLICK RELEASE YIELD FCER2, SQLE, TTL NPC1 1523/4885POLB 4302/4885RAB9A 3663/4885
US-20210308207-A1 COMPOUNDS COMPRISING A LINKER FOR INCREASING TRANSCYCLOOCTENE STABILITY VIP, PIN1, QPCT NPC1 4235/4885POLB 3563/4885RAB9A 4802/4885

“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.