SCHEMBL3175845

SCHEMBL3175845

N[C@@H]1CCN(C2CCCN(C(=O)OCc3ccccc3)CC2)C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TMEM97 Q5BJF2 6/20 0.49
SIGMAR1 Q99720 6/20 0.49
HTR1A P08908 2/20 0.49
HRH2 P25021 2/20 0.49
HRH1 P35367 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ADRA2C P18825 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47

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
SCHEMBL13528714 1.00 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9ATMEM97
SCHEMBL13528044 1.00 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9ATMEM97
SCHEMBL13528054 1.00 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9ATMEM97
SCHEMBL13528719 1.00 SMN1; SMN2 (0.57) SMN1; SMN2CYP2C19NPC1RAB9ATMEM97
Hydrochloric Acid SCHEMBL28356355 0.94 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9ATMEM97
Hydrochloric Acid SCHEMBL28356358 0.94 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9ATMEM97
SCHEMBL2744456 0.88 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9ATMEM97
SCHEMBL14528537 0.86 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9ATMEM97
SCHEMBL14528428 0.86 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9ATMEM97
SCHEMBL13547179 0.86 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016289-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2010-01-21 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 (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-20100016289-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 SMN1; SMN2 3730/4885CYP2C19 2350/4885NPC1 709/4885

“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.