SCHEMBL4280918

SCHEMBL4280918

CCOC(=O)c1cc(C)nn1CCC[C@@H]1CN(C(=O)O)CCN1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 2/20 0.33
SMYD3 Q9H7B4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA4 P22748 2/20 0.31
CA9 Q16790 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
GABRA1 P14867 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL4285094 0.94 SMN1; SMN2 (0.35) RENSMN1; SMN2POLBRAB9AALDH1A1
SCHEMBL13705158 0.87 CXCR4 (0.40) SMN1; SMN2POLBRAB9ATDP1L3MBTL1
Hydrochloric Acid SCHEMBL4284926 0.82 GRN (0.36) RENSMN1; SMN2POLBRAB9AKDM4E
Hydrochloric Acid SCHEMBL4281042 0.82 SMN1; SMN2 (0.35) RENSMN1; SMN2POLBRAB9AKDM4E
Hydrochloric Acid SCHEMBL4292918 0.79 CYP1A2 (0.33) RENSMN1; SMN2POLBRAB9AKDM4E
SCHEMBL4293435 0.78 KMT2A (0.35) RENCA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4281770 0.77 KDM4E (0.44) POLBKDM4EALDH1A1LMNA
SCHEMBL4291155 0.77 SMN1; SMN2 (0.38) SMN1; SMN2POLBRAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4281746 0.73 REN (0.33) RENLMNACA1CA2CA4
SCHEMBL18718150 0.73 SMN1; SMN2 (0.45) SMN1; SMN2POLBRAB9AKDM4EALDH1A1

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 REN 1/4885SMN1; SMN2 4811/4885POLB 3799/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT REN 1/4885SMN1; SMN2 4811/4885POLB 3799/4885

“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.