SCHEMBL1435933

SCHEMBL1435933

Cc1[c]nc(-c2ccc(F)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
TP53 P04637 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 2/20 0.43
HSD17B10 Q99714 1/20 0.43
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
NOTUM Q6P988 2/20 0.41
ALDH1A1 P00352 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALOX15 P16050 1/20 0.37
HTT P42858 2/20 0.37
ADCY1 Q08828 1/20 0.36
GUSB P08236 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL1435997 0.81 NPC1 (0.44) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL504678 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TSHRHSD17B10
SCHEMBL9879185 0.78 NPC1 (0.54) NPC1RAB9ATP53SMN1; SMN2HSD17B10
SCHEMBL27843097 0.78 NPC1 (0.47) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL504247 0.72 CYP1A2 (0.55) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL19010395 0.68 NPC1 (0.79) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL2360473 0.68 NPC1 (0.72) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL5543992 0.68 NPC1 (0.48) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL2289115 0.68 NPC1 (1.00) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL1435942 0.67 NPC1 (0.52) NPC1RAB9ATP53SMN1; SMN2TSHR

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 18 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 claimed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 US claimed
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 claimed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 US claimed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 US claimed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 US claimed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP claimed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 US claimed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO claimed
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
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 NPC1 801/4885RAB9A 3061/4885TP53 4661/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 NPC1 591/4885RAB9A 3016/4885TP53 4814/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 NPC1 801/4885RAB9A 3061/4885TP53 4661/4885

“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.