SCHEMBL1435856

SCHEMBL1435856

Cc1cc(-c2ccccc2)nn1CCC(C)(C)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 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
SCHEMBL6419570 0.83 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHTTCASP3
SCHEMBL27731136 0.80 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1LMNAHTTCASP3
SCHEMBL4889199 0.80 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1LMNAHTTCASP3
SCHEMBL5292301 0.77 AURKA (0.48) SMN1; SMN2ALDH1A1LMNAHTTGABRP
SCHEMBL4895627 0.77 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAHTTCASP3
SCHEMBL7078636 0.76 BRD9 (0.48) SMN1; SMN2ALDH1A1HTTGABRPGABRD
SCHEMBL3507071 0.76 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAHTTCASP3
SCHEMBL28109720 0.74 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1LMNAHTTCASP3
SCHEMBL5353450 0.73 PDE10A (0.44) ALDH1A1LMNAHTTNPC1RAB9A
SCHEMBL5280031 0.71 RAB9A (0.51) SMN1; SMN2ALDH1A1HTTNPC1RAB9A

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 SMN1; SMN2 2529/4885ALDH1A1 233/4885LMNA 4657/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 SMN1; SMN2 1935/4885ALDH1A1 133/4885LMNA 4737/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 SMN1; SMN2 2529/4885ALDH1A1 233/4885LMNA 4657/4885

“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.