SCHEMBL3103033

SCHEMBL3103033

CC(C)(C)c1ccccc1OC1CCCNC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
SLC6A2 P23975 3/20 0.50
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
RBP4 P02753 4/20 0.43
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
ROCK1 Q13464 1/20 0.43
CNR2 P34972 1/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
CHEK1 O14757 2/20 0.41

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
SCHEMBL17955445 1.00 HTR1A (0.50) HTR1ASLC6A2CHRNB2CHRNA4IKBKB
SCHEMBL13034284 0.91 HTR1A (0.55) HTR1ASLC6A2CHRNB2CHRNA4RBP4
SCHEMBL19618927 0.91 HTR1A (0.55) HTR1ASLC6A2CHRNB2CHRNA4RBP4
Hydrochloric Acid SCHEMBL3107935 0.90 HTR1A (0.54) HTR1ASLC6A2CHRNB2CHRNA4RBP4
SCHEMBL3107107 0.84 SLC6A2 (0.53) HTR1ASLC6A2RBP4
SCHEMBL23665229 0.82 RBP4 (0.51) RBP4
SCHEMBL22702793 0.82 RBP4 (0.51) RBP4
SCHEMBL5365259 0.81 HRH1 (0.57) HTR1ASLC6A2RBP4HTR2C
SCHEMBL14008912 0.81 RBP4 (0.50) RBP4
Hydrochloric Acid SCHEMBL3094545 0.80 HRH1 (0.55) HTR1ASLC6A2RBP4HTR2C

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 HTR1A 3333/4885SLC6A2 4266/4885CHRNB2 4113/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 HTR1A 3333/4885SLC6A2 4266/4885CHRNB2 4113/4885

“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.