SCHEMBL13328872

SCHEMBL13328872

CC(C)(C)C(=O)N1CCC2(CC1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 7/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CASP1 P29466 1/20 0.41
RAB9A P51151 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 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
SCHEMBL1364716 0.81 KMT2A (0.46) KMT2AALDH1A1POLBMAPK1LMNA
SCHEMBL13088273 0.79 KMT2A (0.56) KMT2AALDH1A1POLBMAPK1LMNA
SCHEMBL27009205 0.77 EPHX2 (0.45) KMT2AALDH1A1MEN1SMN1; SMN2CYP3A4
SCHEMBL13328857 0.75 CYP3A4 (0.41) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL18701880 0.75 EPHX2 (0.43) KMT2AALDH1A1TSHRCYP2C19MEN1
SCHEMBL3047968 0.75 ALDH1A1 (0.53) KMT2AALDH1A1POLBMAPK1LMNA
SCHEMBL20469333 0.74 EPHX2 (0.52) CYP3A4
SCHEMBL13223563 0.74 CYP3A4 (0.43) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL3869388 0.74 KMT2A (0.50) KMT2AALDH1A1POLBMAPK1LMNA
SCHEMBL1104454 0.74 CYP3A4 (0.40) KMT2AALDH1A1MEN1CYP3A4

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
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands ASTRAZENECA AB (SE) 2010-05-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR KMT2A 2884/4885ALDH1A1 374/4885POLB 2800/4885
US-20100113502-A1 Novel Tetrahydro-1H-Pyrido[4,3-b] Indole Derivatives as CB1 Receptor Ligands CNR1, CNR2, OPRL1 KMT2A 2274/4885ALDH1A1 1706/4885POLB 4820/4885

“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.