SCHEMBL3274422

SCHEMBL3274422

COC(=O)[C@H]1CC[C@@H](N2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.43
GAA P10253 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL3 Q96JM7 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MBTD1 Q05BQ5 2/20 0.40
TP53BP1 Q12888 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2942042 1.00 SMN1; SMN2 (0.50) SMN1; SMN2TP53POLBALDH1A1GAA
SCHEMBL2942040 1.00 SMN1; SMN2 (0.50) SMN1; SMN2TP53POLBALDH1A1GAA
SCHEMBL5068807 0.98 SMN1; SMN2 (0.53) SMN1; SMN2TP53POLBALDH1A1GAA
SCHEMBL5068809 0.98 SMN1; SMN2 (0.53) SMN1; SMN2TP53POLBALDH1A1GAA
SCHEMBL21851141 0.88 TP53 (0.56) SMN1; SMN2TP53POLBALDH1A1GAA
SCHEMBL25618622 0.85 TP53 (0.46) SMN1; SMN2TP53POLBALDH1A1GAA
SCHEMBL24837937 0.84 TP53 (0.45) SMN1; SMN2TP53POLBALDH1A1GAA
SCHEMBL2944005 0.84 TP53 (0.45) SMN1; SMN2TP53POLBALDH1A1GAA
SCHEMBL2944007 0.84 TP53 (0.45) SMN1; SMN2TP53POLBALDH1A1GAA
SCHEMBL24838133 0.84 TP53 (0.45) SMN1; SMN2TP53POLBALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207349-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-06 US disclosed
US-7691888-B2 Thiazolyl-dihydro-indazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 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 (2 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-20060100254-A1 N-[1-(3-dimethylamino-4-formyl-phenyl)-3-pyridin-3-yl-4,5-dihydro-1H-pyrazolo[4,3-g]benzothiazol-7-yl]-acetamide; phosphatidylinositol-3-kinases (PI3-kinases) inhibitor; cell growth, differentiation and intracellular transport processes; antiproliferative, antiinflammatory agent; autoimmune diseases CDK1, MAPK1, NFATC1 SMN1; SMN2 3431/4885TP53 1953/4885POLB 2755/4885
US-20100113414-A1 THIAZOLYL-DIHYDRO-INDAZOLES MKI67, CYP11B1, IGF1R SMN1; SMN2 1337/4885TP53 240/4885POLB 4309/4885

“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.