SCHEMBL6312702

SCHEMBL6312702

CN(CC(=O)O)[C@H]1CCN(Cc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.59
LTA4H P09960 1/20 0.56
SIGMAR1 Q99720 6/20 0.53
OPRM1 P35372 4/20 0.53
HTR2A P28223 4/20 0.53
HTR2C P28335 4/20 0.53
HTR2B P41595 4/20 0.53
DRD2 P14416 3/20 0.53
CHRM2 P08172 4/20 0.51
CHRM3 P20309 4/20 0.51
ACHE P22303 1/20 0.50
KCNH2 Q12809 1/20 0.50
HDAC1 Q13547 1/20 0.49
CCR5 P51681 1/20 0.49

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
SCHEMBL7013887 0.92 SIGMAR1 (0.60) CHRM4LTA4HSIGMAR1OPRM1HTR2A
SCHEMBL5718487 0.86 OPRM1 (0.57) CHRM4LTA4HSIGMAR1OPRM1HTR2A
SCHEMBL4464056 0.86 OPRM1 (0.57) CHRM4LTA4HSIGMAR1OPRM1HTR2A
SCHEMBL3817982 0.83 OPRM1 (0.59) CHRM4LTA4HSIGMAR1OPRM1HTR2A
SCHEMBL1220330 0.83 OPRM1 (0.59) CHRM4LTA4HSIGMAR1OPRM1HTR2A
SCHEMBL7498815 0.83 CHRM4 (0.55) CHRM4SIGMAR1OPRM1HTR2AHTR2C
SCHEMBL7498825 0.83 CHRM4 (0.55) CHRM4SIGMAR1OPRM1HTR2AHTR2C
SCHEMBL26618028 0.83 SIGMAR1 (0.57) CHRM4LTA4HSIGMAR1OPRM1HTR2A
Hydrochloric Acid SCHEMBL4469376 0.82 OPRM1 (0.57) CHRM4LTA4HSIGMAR1OPRM1HTR2A
Hydrochloric Acid SCHEMBL4469375 0.82 OPRM1 (0.57) CHRM4LTA4HSIGMAR1OPRM1HTR2A

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-20050113397-A1 Imidazo[1,2-a]pyridine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-05-26 US disclosed
EP-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP 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 (1 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-20050113397-A1 Imidazo[1,2-a]pyridine derivative MANBA, MAN2B1, ERG28 CHRM4 4482/4885LTA4H 4242/4885SIGMAR1 2994/4885

“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.