SCHEMBL18912571

SCHEMBL18912571

C[C@@H]1CN(C2CCN(C(=O)OCc3ccccc3)CC2)C[C@H](C)N1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CYP2C19 P33261 1/20 0.57
HTT P42858 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
GRIN2B Q13224 6/20 0.49
HTR2C P28335 1/20 0.49
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
HTR1A P08908 1/20 0.47
ADRA2C P18825 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
TMEM97 Q5BJF2 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
SCHEMBL17946346 0.86 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL19598727 0.85 HTR2C (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4179954 0.85 HTR2C (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL13489645 0.85 HTR2C (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL13384650 0.85 HTR2C (0.58) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL15340724 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL14529024 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL1206723 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL13431982 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL24183442 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9ACYP2C19HTT

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-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-06-01 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-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 SMN1; SMN2 1354/4885NPC1 3868/4885RAB9A 3433/4885

“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.