SCHEMBL717332

SCHEMBL717332

ClC(c1csc2ccccc12)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 1/20 0.39
HTR7 P34969 2/20 0.39
CHRNA7 P36544 1/20 0.38
HTR1A P08908 4/20 0.38
ALOX5 P09917 1/20 0.38
NR3C1 P04150 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
HSD17B2 P37059 1/20 0.36
C5AR1 P21730 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL721261 0.81 NR3C1 (0.47) SLC6A2SLC6A4SLC6A3HTR7CHRNA7
SCHEMBL716754 0.70 NPC1 (0.36) ALOX5LMNAHPGDHTTMAPT
SCHEMBL718405 0.70 MEN1 (0.34) LMNAMAPT
SCHEMBL28755199 0.69 TAS1R3 (0.40) SLC6A2SLC6A4SLC6A3NR3C1SMN1; SMN2
SCHEMBL30239199 0.67 ALOX5 (0.55) SLC6A2SLC6A4SLC6A3CHRNA7ALOX5
SCHEMBL9281496 0.67 ALOX5 (0.44) SLC6A2SLC6A4SLC6A3CHRNA7HTR1A
SCHEMBL1105793 0.67 ALOX5 (0.55) SLC6A2SLC6A4SLC6A3CHRNA7ALOX5
SCHEMBL141272 0.67 ALOX5 (0.55) SLC6A2SLC6A4SLC6A3CHRNA7ALOX5
SCHEMBL5826364 0.67 CYP2A6 (0.50) SLC6A2SLC6A4SLC6A3HTR1AALOX5
SCHEMBL6026188 0.66 ALOX5 (0.46) SLC6A2SLC6A4SLC6A3HTR7HTR1A

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 SLC6A2 1221/4885SLC6A4 1351/4885SLC6A3 1248/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP SLC6A2 1221/4885SLC6A4 1351/4885SLC6A3 1248/4885

“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.