SCHEMBL718337

SCHEMBL718337

COCc1nn(-c2cccc(C(F)(F)F)n2)cc1C(O)C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.36
DRD2 P14416 2/20 0.36
HTR1A P08908 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2B P41595 2/20 0.36
DRD4 P21917 1/20 0.36
HTR2C P28335 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ADORA2A P29274 5/20 0.34
ADORA1 P30542 5/20 0.34
KCNH2 Q12809 4/20 0.34
CYP3A4 P08684 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2B P29275 1/20 0.34
CYP2C19 P33261 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 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
SCHEMBL720518 0.81 LMNA (0.37) HRH3KDM4ELMNACNR1HTT
SCHEMBL718365 0.80 PDE2A (0.36) HRH3KCNH2IDO1TDO2FFAR1
SCHEMBL717837 0.78 RAB9A (0.39) HTR2CADORA2AADORA3KDM4ESLC6A4
SCHEMBL719334 0.77 BCHE (0.40) CYP3A4CYP2C19KDM4ELMNATP53
SCHEMBL716753 0.77 GCGR (0.38) KDM4EIDO1TDO2
SCHEMBL719380 0.76 GCG (0.51)
SCHEMBL720377 0.76 GCG (0.38) DRD3DRD2HTR1AHTR2AHTR2B
SCHEMBL718692 0.75 IRAK4 (0.41) DRD3DRD2HTR1AHTR2AHTR2B
SCHEMBL27834195 0.74 IRAK4 (0.37)
SCHEMBL716549 0.74 RAB9A (0.40) KDM4ESLC6A2SLC6A4HTTSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
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
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN 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 DRD3 3431/4885DRD2 3602/4885HTR1A 3980/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP DRD3 3431/4885DRD2 3602/4885HTR1A 3980/4885

“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.