SCHEMBL1435781

SCHEMBL1435781

C[C@@H](Cn1ccc2cc(C#N)ccc21)NC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.42
PRMT5 O14744 1/20 0.42
ACACB O00763 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.39
TRPA1 O75762 1/20 0.38
DRD2 P14416 1/20 0.38
CTSS P25774 4/20 0.37
CTSK P43235 3/20 0.37
AAK1 Q2M2I8 1/20 0.37
ABCB1 P08183 3/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
P2RX7 Q99572 1/20 0.36
CTSB P07858 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL1435785 1.00 NPY5R (0.42) NPY5RPRMT5ACACBIRAK4TRPA1
SCHEMBL9009161 0.81 MTNR1A (0.47) NPY5RDRD2KDM4EALDH1A1GLA
SCHEMBL2951656 0.79 DRD2 (0.40) NPY5RPRMT5ACACBDRD2AAK1
SCHEMBL27844158 0.78 NPY5R (0.45) NPY5RPRMT5ABCB1KDM4EALDH1A1
SCHEMBL24110639 0.77 FLT1 (0.42) TRPA1AAK1HTR2C
SCHEMBL7679844 0.77 KMO (0.46) NPY5RPRMT5TRPA1KDM4EALDH1A1
SCHEMBL7679840 0.77 KMO (0.46) NPY5RPRMT5TRPA1KDM4EALDH1A1
SCHEMBL7674627 0.77 HTR2C (0.43) NPY5RTRPA1CTSSCTSKAAK1
SCHEMBL7674622 0.77 HTR2C (0.43) NPY5RTRPA1CTSSCTSKAAK1
SCHEMBL8904901 0.77 HTR2C (0.56) TRPA1AAK1KDM4EALDH1A1HPGD

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 7 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
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
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
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US 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 NPY5R 242/4885PRMT5 1356/4885ACACB 1350/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 NPY5R 538/4885PRMT5 1455/4885ACACB 1617/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 NPY5R 242/4885PRMT5 1356/4885ACACB 1350/4885

“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.