SCHEMBL21828660

SCHEMBL21828660

O=C(O)C1C2CN(c3ccccc3)C(=O)C21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CCKBR P32239 1/20 0.39
DDB1 Q16531 3/20 0.39
CRBN Q96SW2 3/20 0.39
EDNRB P24530 1/20 0.39
EDNRA P25101 1/20 0.39
POLB P06746 4/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
GRM2 Q14416 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
SCHEMBL21828523 0.79 NPC1 (0.46) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL30589095 0.79 NPC1 (0.46) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL30589030 0.79 NPC1 (0.46) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL21828598 0.75 MEN1 (0.40) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL25384174 0.75 MEN1 (0.40) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL30209937 0.72 TNKS (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL13046376 0.72 TNKS (0.49) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL24322391 0.71 CCKBR (0.46) NOTUMMEN1KMT2ANPC1RAB9A
SCHEMBL21828665 0.71 MEN1 (0.40) MEN1KMT2ANPC1RAB9ADDB1
SCHEMBL13046373 0.71 MEN1 (0.50) MEN1KMT2ANPC1RAB9ADDB1

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-3856735-B1 FUSED BICYCLIC HETEROCYCLES AS THERAPEUTIC AGENTS UNIV NEW YORK (US) 2023-09-06 EP disclosed
US-20210395222-A1 Fused Bicyclic Heterocycles as Therapeutic Agents NEW YORK UNIVERSITY 2021-12-23 US disclosed
EP-3856735-A1 FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS New York University (US) 2021-08-04 EP disclosed
WO-2020073031-A1 FUSED BICYCLIC HETEROCYCLES AS THEREAPEUTIC AGENTS NEW YORK UNIVERSITY (US) 2020-04-09 WO 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-20210395222-A1 Fused Bicyclic Heterocycles as Therapeutic Agents NAMPT, NQO1, NAPRT NOTUM 4430/4885MEN1 3379/4885KMT2A 1818/4885

“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.