SCHEMBL3113205

SCHEMBL3113205

CC(C)(C)c1cc(Cl)ccc1OCC1CNC1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.60
SLC6A4 P31645 2/20 0.49
HTR6 P50406 1/20 0.49
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 6/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SSTR4 P31391 1/20 0.42
HTR2C P28335 2/20 0.40
HTR2B P41595 2/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL13034350 0.89 RBP4 (0.56) RBP4SLC6A4HTR6LMNAMAPK1
Hydrochloric Acid SCHEMBL3096141 0.88 RBP4 (0.55) RBP4SLC6A4HTR6LMNAMAPK1
SCHEMBL13034357 0.86 RBP4 (0.58) RBP4SLC6A4HTR6LMNAMAPK1
Hydrochloric Acid SCHEMBL3100548 0.85 RBP4 (0.57) RBP4SLC6A4HTR6LMNAMAPK1
SCHEMBL12489893 0.84 RBP4 (0.62) RBP4SLC6A4HTR6LMNAMAPK1
SCHEMBL3116441 0.83 RBP4 (0.57) RBP4SLC6A4SSTR4HTR2CHTR2B
SCHEMBL14312071 0.81 SSTR4 (0.53) SLC6A4HTR6LMNAMAPK1HTT
SCHEMBL14311946 0.80 SLC6A4 (0.55) SLC6A4HTR6TDP1
SCHEMBL13034310 0.79 RBP4 (0.49) RBP4LMNAHTTKDM4EGAA
SCHEMBL3098961 0.78 SLC6A4 (0.54) RBP4SLC6A4HTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2202223-B1 HETEROCYCLIC COMPOUND AS BLOOD RBP4 LOWERING AGENT TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 EP disclosed
EP-2202223-B1 HETEROCYCLIC COMPOUND AS BLOOD RBP4 LOWERING AGENT TAKEDA PHARMACEUTICALS CO (JP) 2017-01-25 EP disclosed
US-9487509-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
US-9487509-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
US-9487509-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
US-20140066420-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-20140066420-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-20140066420-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-03-06 US disclosed
US-8586571-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
US-8586571-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
US-20100292206-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-18 US disclosed
US-20100292206-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-18 US disclosed
US-20100292206-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-18 US disclosed
EP-2202223-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-30 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-20140066420-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885SLC6A4 2310/4885HTR6 2560/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885SLC6A4 2310/4885HTR6 2560/4885

“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.