SCHEMBL4285094

SCHEMBL4285094

CCOC(=O)c1cc(C)nn1CC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
RAB9A P51151 2/20 0.33
REN P00797 2/20 0.33
SMYD3 Q9H7B4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32

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
SCHEMBL4280918 0.94 REN (0.34) SMN1; SMN2POLBALDH1A1TDP1RAB9A
Hydrochloric Acid SCHEMBL4284926 0.88 GRN (0.36) SMN1; SMN2POLBALDH1A1TDP1RAB9A
Hydrochloric Acid SCHEMBL4281042 0.88 SMN1; SMN2 (0.35) SMN1; SMN2POLBALDH1A1TDP1RAB9A
Hydrochloric Acid SCHEMBL4292918 0.85 CYP1A2 (0.33) SMN1; SMN2POLBALDH1A1RAB9AREN
SCHEMBL4293435 0.84 KMT2A (0.35) RENCA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4281770 0.83 KDM4E (0.44) POLBALDH1A1LMNA
SCHEMBL13705158 0.81 CXCR4 (0.40) SMN1; SMN2POLBTDP1RAB9AL3MBTL1
SCHEMBL4291155 0.80 SMN1; SMN2 (0.38) SMN1; SMN2POLBALDH1A1TDP1RAB9A
Hydrochloric Acid SCHEMBL4281746 0.77 REN (0.33) RENCA1CA2CA4CA9
SCHEMBL4297909 0.76 ALDH1A1 (0.47) SMN1; SMN2POLBALDH1A1RENCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SMN1; SMN2 4811/4885POLB 3799/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SMN1; SMN2 4811/4885POLB 3799/4885ALDH1A1 388/4885

“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.