SCHEMBL2208032

SCHEMBL2208032

Nc1ccc(CN2CCCC2)c(Cl)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
MAPT P10636 1/20 0.57
POLB P06746 4/20 0.53
KDM4E B2RXH2 4/20 0.53
CYP2A13 Q16696 1/20 0.50
DRD2 P14416 1/20 0.49
MAOA P21397 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
CHKA P35790 1/20 0.48
NR1H2 P55055 1/20 0.44

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
SCHEMBL3859176 0.98 ACHE (0.58) ACHEALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL13861951 0.86 ACHE (0.65) ACHEALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL4935736 0.85 MAPT (0.57) ACHEALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL30900092 0.85 CYP2A13 (0.71) ALDH1A1SMN1; SMN2TDP1MAPTKDM4E
SCHEMBL591420 0.85 ALDH1A1 (0.64) ACHEALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL29672011 0.85 ALDH1A1 (0.64) ACHEALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL4264928 0.85 CYP2A13 (0.71) ALDH1A1SMN1; SMN2TDP1MAPTKDM4E
SCHEMBL15065984 0.84 ACHE (0.63) ACHEALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL3863293 0.83 L3MBTL3 (0.53) ACHEALDH1A1SMN1; SMN2TDP1MAPT
SCHEMBL3862744 0.82 ALDH1A1 (0.59) ACHEALDH1A1SMN1; SMN2TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-25 US disclosed
US-7981880-B2 3-(aminomethyliden) 2-indolinone derivates and their use as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-19 US disclosed
US-7981880-B2 3-(aminomethyliden) 2-indolinone derivates and their use as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-19 US disclosed
US-7981880-B2 3-(aminomethyliden) 2-indolinone derivates and their use as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-19 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-22 US disclosed
EP-1558567-B1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA (DE) 2009-06-24 EP disclosed
US-20090105216-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATES AND THEIR USE AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 US disclosed
US-20090105216-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATES AND THEIR USE AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 US disclosed
US-20090105216-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATES AND THEIR USE AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 US disclosed
WO-2008152013-A1 INDOLINONE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-12-18 WO disclosed
US-7351719-B2 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-04-01 US disclosed
WO-2007122219-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATIVES AND THEIR USE AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-01 WO disclosed
EP-1558567-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-08-03 EP disclosed
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-05 US disclosed
WO-2004039764-A1 NOVEL AMIDE COMPOUNDS WITH MCH ANTAGONISTIC EFFECT AND MEDICAMENTS COMPRISING SAID COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-13 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 (4 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-20120270859-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 ACHE 720/4885ALDH1A1 243/4885SMN1; SMN2 995/4885
US-20040152742-A1 Amide compounds having MCH-antagonistic activity and medicaments comprising these compounds MCHR2, MCHR1, NPY1R ACHE 2784/4885ALDH1A1 4267/4885SMN1; SMN2 2811/4885
US-20100184747-A1 INDOLINE DERIVATIVES AND THEIR USE IN TREATING DISEASE-STATES SUCH AS CANCER IDO1, INMT, TPH1 ACHE 720/4885ALDH1A1 243/4885SMN1; SMN2 995/4885
US-20090105216-A1 3- (AMINOMETHYLIDEN) 2-INDOLINONE DERIVATES AND THEIR USE AS CELL PROLIFERATION INHIBITORS MKI67, CCNI, CCNA1 ACHE 1779/4885ALDH1A1 170/4885SMN1; SMN2 1744/4885

“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.