SCHEMBL298917

SCHEMBL298917

O=C(CN1C=CCC(c2cc(Cc3ccccc3)n[nH]2)=C1)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 10/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
KDM4E B2RXH2 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TP53 P04637 2/20 0.43
GAA P10253 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
FPR1 P21462 1/20 0.43
FPR2 P25090 1/20 0.43
PRNP P04156 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL299223 0.74 DRD4 (0.34) RAB9ASMN1; SMN2ALDH1A1CYP3A4CYP2C9
SCHEMBL27871675 0.68 KMT2A (0.33)
SCHEMBL13675926 0.65 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL660695 0.65 HCAR2 (0.37) ALDH1A1
SCHEMBL6333970 0.65 NPC1 (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL286989 0.64 KDM5A (0.42)
SCHEMBL5172898 0.64 RAB9A (0.78) RAB9ANPC1SMN1; SMN2ALDH1A1NFKB1
SCHEMBL287304 0.61 HCAR2 (0.43) ALDH1A1CYP3A4CYP2D6CYP2C19MAPT
SCHEMBL23495308 0.61 ALDH1A1 (0.81) RAB9ASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL29436176 0.61 ALDH1A1 (0.81) RAB9ASMN1; SMN2ALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
CN-102459175-A Piperidine derivatives for the treatment of diabetes TORRENT PHARMACEUTICALS LTD 2012-05-16 CN disclosed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT RAB9A 2179/4885NPC1 1176/4885SMN1; SMN2 640/4885

“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.