SCHEMBL4291328

SCHEMBL4291328

O=C(O)N1CCN[C@H](CCNc2ccccc2F)C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
KDM4E B2RXH2 2/20 0.38
ADRB1 P08588 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
EPHX2 P34913 1/20 0.35
METAP2 P50579 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4294740 0.87 MAN1B1 (0.43) CA1CA2CA4CA9ADRB1
SCHEMBL4289461 0.86 EBP (0.40) CA1CA2CA4CA9ADRB1
SCHEMBL4750102 0.86 MAPT (0.41) CA1CA2CA4CA9ADRB1
SCHEMBL4281787 0.85 MEN1 (0.41) KDM4EALDH1A1KMT2AMEN1TSHR
SCHEMBL4291053 0.83 KDM4E (0.39) CA1CA2CA4CA9KDM4E
SCHEMBL4289730 0.82 MAPT (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4289734 0.82 MAPT (0.43) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL4281693 0.82 CCR3 (0.39) KDM4EADRB1ALDH1A1KMT2AMEN1
SCHEMBL4284858 0.77 CA1 (0.42) CA1CA2CA4CA9ADRB1
SCHEMBL4289874 0.76 F10 (0.37) CA1CA2CA4CA9ADRB1

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 CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.