SCHEMBL4289461

SCHEMBL4289461

O=C(O)N1CCN[C@H](CCNc2ccccc2Cl)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
FAAH O00519 1/20 0.39
P2RX7 Q99572 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
KMT2A Q03164 1/20 0.37
ADRB1 P08588 1/20 0.37
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
GFER P55789 1/20 0.36
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
EPHX2 P34913 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35

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
SCHEMBL4750102 0.86 MAPT (0.41) CA1CA2CA4CA9KMT2A
SCHEMBL4291328 0.86 CA1 (0.38) CA1CA2CA4CA9KMT2A
SCHEMBL4294740 0.84 MAN1B1 (0.43) CA1CA2CA4CA9ADRB1
SCHEMBL4281787 0.83 MEN1 (0.41) KMT2AMAPTGAATSHR
SCHEMBL4291053 0.83 KDM4E (0.39) CA1CA2CA4CA9KMT2A
SCHEMBL4289734 0.82 MAPT (0.43) KMT2AMAPTGAA
SCHEMBL4289730 0.82 MAPT (0.43) KMT2AMAPTGAA
SCHEMBL4290915 0.80 KMT2A (0.41) KMT2AMAPTGAA
SCHEMBL4281693 0.78 CCR3 (0.39) KMT2AADRB1GAA
Hydrochloric Acid SCHEMBL4285513 0.76 MEN1 (0.43) KMT2AHPGDTSHR

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 EBP 1320/4885SIGMAR1 3163/4885FAAH 2632/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EBP 1320/4885SIGMAR1 3163/4885FAAH 2632/4885

“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.