SCHEMBL718917

SCHEMBL718917

OC(c1cn(-c2ccc(C(F)(F)F)cn2)nc1C1CC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.38
PDE2A O00408 2/20 0.38
GCG P01275 4/20 0.37
HDAC4 P56524 1/20 0.36
IDO1 P14902 3/20 0.35
TDO2 P48775 3/20 0.35
SMO Q99835 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ACACB O00763 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CYP3A4 P08684 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL720617 0.86 KDM4E (0.39) TMEM97SIGMAR1KDM4EABL1LMNA
SCHEMBL720524 0.84 HRH3 (0.37) TMEM97SIGMAR1KDM4EABL1LMNA
SCHEMBL718407 0.84 PDE2A (0.39) TMEM97SIGMAR1KDM4EABL1LMNA
SCHEMBL720842 0.83 GCG (0.38) TMEM97SIGMAR1KDM4EABL1LMNA
SCHEMBL721405 0.82 GCG (0.37) TMEM97SIGMAR1KDM4EABL1LMNA
SCHEMBL720518 0.81 LMNA (0.37) TMEM97SIGMAR1KDM4EABL1LMNA
SCHEMBL27852631 0.80 HDAC4 (0.40) TMEM97SIGMAR1KDM4EABL1LMNA
SCHEMBL720153 0.79 SMO (0.38) GCGHDAC4SMO
SCHEMBL27852632 0.78 HDAC4 (0.35) TMEM97SIGMAR1KDM4EABL1LMNA
SCHEMBL6036313 0.77 KDM4E (0.40) KDM4EABL1LMNAGCGHDAC4

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 TMEM97 4783/4885SIGMAR1 4693/4885KDM4E 1907/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP TMEM97 4783/4885SIGMAR1 4693/4885KDM4E 1907/4885

“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.