SCHEMBL1435698

SCHEMBL1435698

Cc1[nH]c(-c2ccccc2)nc1CCN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
NPY5R Q15761 1/20 0.45
HPGDS O60760 1/20 0.45
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.42
POLB P06746 2/20 0.41
RPS6KA3 P51812 1/20 0.41
SLC9A1 P19634 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
HTT P42858 1/20 0.41
GFER P55789 1/20 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
SCHEMBL1436137 0.86 PIN1 (0.51) PIN1DRD2DRD4DRD3NPY5R
SCHEMBL6214064 0.83 PIN1 (0.49) PIN1DRD2DRD4DRD3NPY5R
SCHEMBL6214539 0.83 PIN1 (0.53) PIN1DRD2DRD4DRD3NPY5R
SCHEMBL6616423 0.82 SMPD3 (0.57) PIN1DRD2DRD4DRD3NPY5R
Hydrochloric Acid SCHEMBL6219343 0.82 PIN1 (0.47) PIN1DRD2DRD4DRD3NPY5R
SCHEMBL28412520 0.81 PIN1 (0.53) PIN1DRD2DRD4DRD3NPY5R
SCHEMBL8973274 0.81 SMPD3 (0.52) PIN1DRD2DRD4DRD3NPY5R
SCHEMBL1099825 0.79 PIN1 (0.56) PIN1DRD2DRD4DRD3NPY5R
Hydrochloric Acid SCHEMBL1436115 0.78 PIN1 (0.50) PIN1DRD2DRD4DRD3NPY5R
Hydrochloric Acid SCHEMBL1436889 0.78 PIN1 (0.54) PIN1DRD2DRD4DRD3NPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US disclosed
CN-1713907-B N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE 2010-05-26 CN disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US disclosed
CN-1713907-A N-substituted pyrrolidine derivatives as dipeptidyl peptidase IV inhibitors HOFFMANN LA ROCHE (CH) 2005-12-28 CN disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 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 (3 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-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 PIN1 477/4885DRD2 977/4885DRD4 222/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 PIN1 678/4885DRD2 782/4885DRD4 306/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 PIN1 477/4885DRD2 977/4885DRD4 222/4885

“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.