SCHEMBL8254656

SCHEMBL8254656

CC1CCc2c(cc3c(c2CC=O)CCC(C)C3)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
CYP2A6 P11509 2/20 0.33
CYP2A13 Q16696 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL12052901 0.87 ALDH1A1 (0.33) ALDH1A1RAB9ANPC1CYP2A6CYP2A13
SCHEMBL8255376 0.84
SCHEMBL8255928 0.75 ALDH1A1 (0.36) ALDH1A1RAB9ANPC1CYP2A6CYP2A13
SCHEMBL8249619 0.73 ALDH1A1 (0.33) ALDH1A1RAB9ACYP2A6CYP2A13TSHR
SCHEMBL8255927 0.72 ALDH1A1 (0.35) ALDH1A1RAB9ANPC1CYP2A6CYP2A13
SCHEMBL8255926 0.72 ALDH1A1 (0.35) ALDH1A1RAB9ANPC1CYP2A6CYP2A13
SCHEMBL8256201 0.72 ALDH1A1 (0.38) ALDH1A1RAB9ANPC1CYP2A6CYP2A13
SCHEMBL8247890 0.71 MAPT (0.37) ALDH1A1LMNAMAPT
SCHEMBL8250071 0.71 MAPT (0.40) ALDH1A1LMNAMAPT
SCHEMBL8254659 0.69 TNF (0.41) ALDH1A1RAB9ANPC1CYP2A6CYP2A13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO 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-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 ALDH1A1 1358/4885RAB9A 4132/4885NPC1 1571/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 ALDH1A1 1358/4885RAB9A 4132/4885NPC1 1571/4885

“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.