SCHEMBL717320

SCHEMBL717320

Cc1nn(-c2ccc(C(F)(F)F)cc2)cc1C(O)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.41
NOTUM Q6P988 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
CTSS P25774 2/20 0.36
GCGR P47871 2/20 0.36
GLP1R P43220 1/20 0.36
GIPR P48546 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CCR1 P32246 1/20 0.35
CCR2 P41597 1/20 0.35
PIM1 P11309 1/20 0.35
NR3C1 P04150 1/20 0.35
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
CASR P41180 1/20 0.34
KCNH2 Q12809 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
GABBR2 O75899 2/20 0.34
GABBR1 Q9UBS5 2/20 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
SCHEMBL717911 0.85 PDE2A (0.39) PDE2ANOTUMAADATCTSSGCGR
SCHEMBL717859 0.85 GCGR (0.39) GCGRGIPRGABBR2GABBR1
SCHEMBL720617 0.84 KDM4E (0.39) PDE2ALMNAKMT2ASMN1; SMN2
SCHEMBL716678 0.84 IDO1 (0.40) NOTUMIDO1TDO2
SCHEMBL720433 0.84 P2RX7 (0.41) PDE2AIDO1TDO2MEN1LMNA
SCHEMBL720503 0.82 IDO1 (0.42) IDO1TDO2MEN1HTTKMT2A
SCHEMBL5904780 0.79 PDE2A (0.42) PDE2ANOTUMAADATCTSSCASR
SCHEMBL720156 0.79 IDO1 (0.38) PDE2AIDO1TDO2KMT2A
SCHEMBL5904764 0.79 PDE2A (0.47) PDE2ANOTUMAADATCTSSGCGR
SCHEMBL719576 0.77 SMN1; SMN2 (0.41) IDO1TDO2MEN1LMNAHTT

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 PDE2A 804/4885NOTUM 1954/4885AADAT 929/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP PDE2A 804/4885NOTUM 1954/4885AADAT 929/4885

“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.