SCHEMBL15044975

SCHEMBL15044975

CCCCc1cnc(C(C)C)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.43
L3MBTL1 Q9Y468 4/20 0.43
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
PKM P14618 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
THPO P40225 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
RAB9A P51151 7/20 0.41
NPC1 O15118 5/20 0.41

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
SCHEMBL24451731 0.94 RARB (0.44) NFKB1L3MBTL1MAPTTDP1KDM4E
SCHEMBL15044976 0.92 RARB (0.46) L3MBTL1MAPTTDP1KDM4EMEN1
SCHEMBL15044980 0.92 RARB (0.46) L3MBTL1MAPTTDP1KDM4EMEN1
SCHEMBL23869508 0.87 NPC1 (0.38) NFKB1L3MBTL1MAPTTDP1KDM4E
SCHEMBL2625466 0.78 KDM4E (0.34) L3MBTL1KDM4ECYP1A2RAB9ANPC1
SCHEMBL10154398 0.76 NFKB1 (0.47) NFKB1L3MBTL1MAPTTDP1KDM4E
SCHEMBL8259759 0.75 NFKB1 (0.51) NFKB1L3MBTL1MAPTTDP1KDM4E
SCHEMBL21534045 0.74 NFKB1 (0.46) NFKB1L3MBTL1MAPTTDP1KDM4E
SCHEMBL6048407 0.74 RAB9A (0.47) NFKB1L3MBTL1MAPTTDP1KDM4E
SCHEMBL12760430 0.74 NFKB1 (0.46) NFKB1L3MBTL1MAPTTDP1KDM4E

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-8754226-B2 Piperidinyl-substituted lactams as GPR119 modulators ARRAY BIOPHARMA INC. (US) 2014-06-17 US disclosed
US-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA, INC. 2013-06-20 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-20130158009-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS GPR119, GPR139, GPR39 NFKB1 1608/4885L3MBTL1 3414/4885MAPT 4834/4885

“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.