SCHEMBL2149891

SCHEMBL2149891

CC(C)c1cccc(C(C)C)c1N1C=[N+](c2c(C(C)C)cccc2C(C)C)CC1.[BH4-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 4/20 0.33
ANPEP P15144 4/20 0.33
TSHR P16473 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
GABRB1 P18505 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL819459 0.98 DPP4 (0.33) DPP4ANPEPTSHRGABRA1GABRG2
Hydrochloric Acid SCHEMBL739370 0.97 DPP4 (0.33) DPP4ANPEPTSHRGABRA1GABRG2
SCHEMBL12503773 0.97 DPP4 (0.33) DPP4ANPEPTSHRGABRA1GABRG2
Hydrochloric Acid SCHEMBL1727633 0.95 DPP4 (0.32) DPP4ANPEPTSHRGABRA1GABRG2
SCHEMBL260939 0.93 ANPEP (0.33) DPP4ANPEPTSHRGABRA1GABRG2
SCHEMBL3532890 0.91 ANPEP (0.33) DPP4ANPEP
SCHEMBL12963288 0.89 DPP4 (0.32) DPP4ANPEPTSHRGABRA1GABRG2
Bicarbonate SCHEMBL31529725 0.89 ANPEP (0.34) DPP4ANPEPTSHRGABRA1GABRG2
SCHEMBL12963280 0.88 MEN1 (0.33) DPP4ANPEPTSHRGABRA1GABRG2
SCHEMBL1047506 0.85 ANPEP (0.33) DPP4ANPEPTSHRALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133140-B2 Cycloalkylamne derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-09-15 US disclosed
EP-2341044-B1 CYCLOALKYLAMINE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2014-02-26 EP disclosed
US-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-11-22 US disclosed
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES MARUMOTO SHINJI (JP) 2012-05-17 US disclosed
EP-2341044-A1 CYCLOALKYLAMINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2011-07-06 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-20120295943-A9 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL DPP4 3895/4885ANPEP 1750/4885TSHR 56/4885
US-20120122941-A1 CYCLOALKYLAMINE DERIVATIVES CASR, CALCR, CALCRL DPP4 3895/4885ANPEP 1750/4885TSHR 56/4885

“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.