SCHEMBL720433

SCHEMBL720433

Cc1nn(-c2ccccc2)cc1C(O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ADORA3 P0DMS8 5/20 0.39
ADORA2A P29274 4/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
IDO1 P14902 3/20 0.36
TDO2 P48775 3/20 0.36
FPR1 P21462 1/20 0.36
GRM4 Q14833 1/20 0.36

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
SCHEMBL716678 0.87 IDO1 (0.40) MAPTADORA3ADORA2ANPC1RAB9A
SCHEMBL718429 0.85 PKM (0.41) MAPTMEN1KMT2AADORA3ADORA2A
SCHEMBL720503 0.85 IDO1 (0.42) P2RX7MAPTMEN1KMT2AADORA3
SCHEMBL717877 0.84 BCHE (0.42) ADORA3ADORA2AALDH1A1LMNANPC1
SCHEMBL717320 0.84 PDE2A (0.41) MEN1KMT2ALMNAHTTIDO1
SCHEMBL716068 0.82 IDO1 (0.41) MEN1KMT2AADORA3ADORA2AHTT
SCHEMBL717876 0.82 IDO1 (0.38) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL720156 0.82 IDO1 (0.38) KMT2AADORA3ADORA2AIDO1TDO2
SCHEMBL717859 0.81 GCGR (0.39) MAPTALDH1A1POLBKDM4E
SCHEMBL718900 0.80 ALDH1A1 (0.37) MEN1KMT2AALDH1A1LMNAHPGD

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-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP P2RX7 2234/4885MAPT 4533/4885MEN1 444/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP P2RX7 2234/4885MAPT 4533/4885MEN1 444/4885

“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.