SCHEMBL3890657

SCHEMBL3890657

CC[C@H](C)[C@H](N)C(=O)Nc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
FFAR2 O15552 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
KDM4E B2RXH2 1/20 0.47
CIT O14578 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP9 P14780 1/20 0.46

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
SCHEMBL3709832 0.86 GAA (0.55) POLBALDH1A1GAALMNANPC1
SCHEMBL7876929 0.85 POLB (0.63) POLBALDH1A1GAALMNANPC1
SCHEMBL7877016 0.85 POLB (0.63) POLBALDH1A1GAALMNANPC1
SCHEMBL26741146 0.84 ALDH1A1 (0.60) POLBALDH1A1GAALMNANPC1
SCHEMBL26741187 0.84 ALDH1A1 (0.60) POLBALDH1A1GAALMNANPC1
SCHEMBL21210729 0.82 POLB (0.63) POLBALDH1A1GAALMNANPC1
SCHEMBL7410019 0.81 DPP8 (0.45) POLBALDH1A1GAALMNANPC1
SCHEMBL7876554 0.80 POLB (0.57) POLBALDH1A1GAALMNANPC1
SCHEMBL6793174 0.80 POLB (0.69) POLBALDH1A1GAALMNANPC1
SCHEMBL6799235 0.80 POLB (0.69) POLBALDH1A1GAALMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148839-A1 New pharmaceutical compositions based on anticholinergics and tace-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US claimed
US-7511144-B2 Reverse hydroxamic acid derivatives KAKEN PHARMACEUTICAL CO., LTD. (JP) 2009-03-31 US disclosed
EP-1431285-B1 REVERSE HYDROXAMIC ACID DERIVATIVES KAKEN PHARMA CO LTD (JP) 2009-01-07 EP disclosed
US-20060148839-A1 New pharmaceutical compositions based on anticholinergics and tace-inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
US-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia STUDOR S.A. (LU) 2004-12-02 US disclosed
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 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-20040242928-A1 Tumor necrosis factor converting enzyme inhibitor; antiarthritic agents; lupus; Crohn's disease; multiple sclerosis; antidiabetic agents; infections;; asthma; skin disorders; anemia TNF, RNASE1, IFNAR1 POLB 1864/4885ALDH1A1 1468/4885GAA 18/4885
US-20060148839-A1 New pharmaceutical compositions based on anticholinergics and tace-inhibitors TPSAB1, CMA1, TPSG1 POLB 2398/4885ALDH1A1 3634/4885GAA 43/4885

“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.