SCHEMBL19902629

SCHEMBL19902629

CCCC(C)C(=O)c1ccnn1CC

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 3/20 0.39
LMNA P02545 2/20 0.39
PIK3CD O00329 1/20 0.37
CTSK P43235 1/20 0.37
ACHE P22303 1/20 0.35

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
SCHEMBL25862581 0.88 CTSK (0.39) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL17452804 0.83 RAB9A (0.50) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL25856055 0.79 EPHX2 (0.41) RAB9ANPC1ALDH1A1MAPTL3MBTL1
SCHEMBL25862643 0.78 L3MBTL1 (0.38) ALDH1A1MAPTL3MBTL1MAPK1LMNA
SCHEMBL262196 0.74 MEN1 (0.53) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL336115 0.74 KMT2A (0.53) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL25522136 0.74 MAPK1 (0.42) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL16963334 0.73 KMT2A (0.55) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL2660301 0.73 MEN1 (0.51) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL29158106 0.71 KMT2A (0.50) RAB9ANPC1MEN1KMT2AALDH1A1

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-20230159465-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2023-05-25 US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 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 (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-20230159465-A1 IMMUNOMODULATOR IL2, IL17A, IL2RA RAB9A 2446/4885NPC1 1184/4885MEN1 3926/4885

“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.