SCHEMBL718287

SCHEMBL718287

COc1ccc(-n2cc(C(O)C3CCCCC3)c(C3CC3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
P2RX7 Q99572 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
GFER P55789 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 2/20 0.36
TP53 P04637 2/20 0.35
SLC18A3 Q16572 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL720503 0.86 IDO1 (0.42) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL718340 0.84 IDO1 (0.41) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL721464 0.83 KDM4E (0.42) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL716549 0.82 RAB9A (0.40) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL717344 0.81 P2RX7 (0.40) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL717195 0.79 IDO1 (0.42) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL718288 0.78 GCGR (0.50)
SCHEMBL717876 0.76 IDO1 (0.38) IDO1TDO2SLC6A2SLC6A4SLC6A3
SCHEMBL718670 0.76 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4EHTTCNR1
SCHEMBL718140 0.76 GCGR (0.38) IDO1TDO2ALDH1A1KDM4EHTT

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 IDO1 2682/4885TDO2 3922/4885SLC6A2 1221/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP IDO1 2682/4885TDO2 3922/4885SLC6A2 1221/4885

“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.