SCHEMBL3099097

SCHEMBL3099097

CC(C)(C)c1cc(Cl)ccc1OC1CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 4/20 0.55
SLC6A4 P31645 6/20 0.43
HTR2C P28335 1/20 0.41
CHRM2 P08172 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
BCL2 P10415 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
SCN9A Q15858 1/20 0.40
LMNA P02545 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
SCHEMBL3103881 0.86 RBP4 (0.44) RBP4SCN9A
SCHEMBL3103185 0.85 RBP4 (0.43) RBP4SLC6A4SCN9A
SCHEMBL3106903 0.85 RBP4 (0.55) RBP4SLC6A4SCN9A
SCHEMBL3108232 0.84 RBP4 (0.57) RBP4HTR2CCHRM2ADRA2ACHRM1
SCHEMBL3111602 0.82 RBP4 (0.62) RBP4KCNH2SCN9ALMNA
SCHEMBL12374730 0.78 SLC6A4 (0.68) SLC6A4HTR2C
SCHEMBL3105526 0.77 RBP4 (0.49) RBP4HTR2CCHRM2ADRA2ACHRM1
SCHEMBL3100464 0.76 RBP4 (0.74) RBP4LMNA
SCHEMBL4129984 0.76 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3SCN9A
SCHEMBL9354247 0.76 SLC6A4 (0.46) SLC6A4HTR2CSCN9A

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 2310/4885HTR2C 3237/4885
US-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885SLC6A4 2310/4885HTR2C 3237/4885

“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.