SCHEMBL27358982

SCHEMBL27358982

COC(=O)C1CCN(C2CCN(C(=O)OCc3ccccc3)CC2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.66
NPC1 O15118 4/20 0.66
RAB9A P51151 4/20 0.66
CYP2C19 P33261 1/20 0.62
HTT P42858 1/20 0.62
CHRM1 P11229 2/20 0.60
CHRM2 P08172 1/20 0.60
ENPP2 Q13822 1/20 0.52
ALDH1A1 P00352 2/20 0.51
GRIN2B Q13224 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HTR1A P08908 1/20 0.48
ADRA2C P18825 1/20 0.48

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
SCHEMBL485156 0.93 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL25030784 0.90 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL31170470 0.88 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL31170255 0.88 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL31170142 0.88 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL25030757 0.88 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL31334554 0.88 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL4430788 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL25030277 0.86 SMN1; SMN2 (0.85) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL14348062 0.85 SMN1; SMN2 (0.68) 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-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2024-07-04 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-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof HDAC6, HDAC9, HDAC7 SMN1; SMN2 2725/4885NPC1 1924/4885RAB9A 224/4885

“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.