SCHEMBL4099888

SCHEMBL4099888

O=C(O)N1CCCC(c2ccc(F)cc2)C1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
ATM Q13315 1/20 0.57
PROKR1 Q8TCW9 4/20 0.54
MAPT P10636 2/20 0.51
ALDH1A1 P00352 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
HIF1A Q16665 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
HSD11B1 P28845 3/20 0.45
GRM5 P41594 1/20 0.44
CLPP Q16740 1/20 0.44

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
SCHEMBL2937123 0.92 RAB9A (0.67) RAB9ANPC1ATMPROKR1MAPT
SCHEMBL2937126 0.92 RAB9A (0.67) RAB9ANPC1ATMPROKR1MAPT
SCHEMBL21425235 0.86 PROKR1 (0.53) RAB9ANPC1ATMPROKR1MAPT
SCHEMBL3312540 0.85 ALDH1A1 (0.62) RAB9ANPC1ATMPROKR1MAPT
SCHEMBL8288429 0.84 ATM (0.74) RAB9ANPC1ATMPROKR1ALDH1A1
SCHEMBL23854774 0.84 ALDH1A1 (0.50) PROKR1MAPTALDH1A1GAALMNA
SCHEMBL9509660 0.84 PROKR1 (0.60) RAB9ANPC1PROKR1MAPTALDH1A1
SCHEMBL3737773 0.84 ALDH1A1 (0.48) RAB9ANPC1PROKR1MAPTALDH1A1
SCHEMBL2552810 0.84 ALDH1A1 (0.50) PROKR1MAPTALDH1A1GAALMNA
SCHEMBL1995415 0.84 ALDH1A1 (0.48) RAB9ANPC1PROKR1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186874-A1 Carboxamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 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-20090186874-A1 Carboxamide derivative and use thereof NTSR2, NTSR1, CNR2 RAB9A 4001/4885NPC1 1521/4885ATM 4243/4885

“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.