SCHEMBL8255295

SCHEMBL8255295

CC1Cc2ccc(C(=O)C(C)CCl)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.34
TBXA2R P21731 3/20 0.34
NPC1 O15118 1/20 0.33
DBH P09172 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
CHRM2 P08172 2/20 0.33
ADRA2B P18089 2/20 0.33
DRD3 P35462 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 1/20 0.32
PRMT5 O14744 1/20 0.32
GRIA2 P42262 1/20 0.32
CHRNA1 P02708 1/20 0.31
CHRNG P07510 1/20 0.31

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
SCHEMBL26317429 0.77 HPGD (0.39) MAPTRAB9AALDH1A1TDP1TBXA2R
SCHEMBL15927445 0.73 GSK3B (0.46) MAPTRAB9ATDP1NPC1GAA
SCHEMBL23519468 0.71 HDAC8 (0.47) MAPTKDM4EALDH1A1LMNAPRMT5
SCHEMBL16716449 0.71 CHRNB2 (0.51) MAPTKDM4ERAB9AALDH1A1TDP1
SCHEMBL31350964 0.70 CES2 (0.53) MAPTKDM4ENPC1LMNACHRNB2
SCHEMBL10717225 0.70 CYP2C9 (0.44) MAPTRAB9AALDH1A1NPC1CHRM2
SCHEMBL26167836 0.70 KDM4E (0.47) MAPTKDM4ERAB9AALDH1A1TDP1
SCHEMBL11574087 0.70 CHRM2 (0.54) RAB9AALDH1A1TDP1NPC1GAA
SCHEMBL10405777 0.70 CA1 (0.53) MAPTKDM4ERAB9AALDH1A1HRH3
SCHEMBL10405725 0.69 CA1 (0.49) GRIA2

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 MAPT 3665/4885KDM4E 465/4885RAB9A 4132/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 MAPT 3665/4885KDM4E 465/4885RAB9A 4132/4885

“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.