SCHEMBL21493560

SCHEMBL21493560

O=C(N[C@@H]1CCCNCC1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
PKM P14618 1/20 0.52
GRM5 P41594 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KHK P50053 1/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL21493561 1.00 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL21493542 1.00 NPC1 (0.55) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL5476430 0.94 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL594567 0.94 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Water SCHEMBL22462471 0.92 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL994332 0.92 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1163023 0.88 MAPK1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL1163022 0.88 MAPK1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28280152 0.88 MAPK1 (0.59) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL161227 0.85 NPC1 (0.72) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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
US-10745409-B2 Azepane inhibitors of menin-MLL interaction JANSSEN PHARMACEUTICA NV (BE) 2020-08-18 US disclosed
US-20190322685-A1 AZEPANE INHIBITORS OF MENIN-MLL INTERACTION JANSSEN PHARMACEUTICA NV (BE) 2019-10-24 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-10745409-B2 Azepane inhibitors of menin-MLL interaction MEN1, MLLT1, BMI1 NPC1 3963/4885RAB9A 2916/4885SMN1; SMN2 866/4885
US-20190322685-A1 AZEPANE INHIBITORS OF MENIN-MLL INTERACTION MEN1, MLLT1, BMI1 NPC1 3963/4885RAB9A 2916/4885SMN1; SMN2 866/4885

“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.