SCHEMBL4522755

SCHEMBL4522755

C[C@@]1(C(=O)O)CCc2ccccc2N1C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NOTUM Q6P988 1/20 0.46
TMEM97 Q5BJF2 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
P2RX4 Q99571 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
HTR2C P28335 1/20 0.41
CTRB1 P17538 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CACNA1G O43497 1/20 0.39

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
SCHEMBL4522759 1.00 NPC1 (0.56) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL4434984 0.76 NPC1 (0.53) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL27589588 0.75 NPC1 (0.52) NPC1RAB9AL3MBTL1NOTUMTMEM97
SCHEMBL630773 0.74 MEN1 (0.49) NPC1RAB9AL3MBTL1P2RX4SMN1; SMN2
SCHEMBL7245273 0.74 MEN1 (0.49) NPC1RAB9AL3MBTL1P2RX4SMN1; SMN2
SCHEMBL7264096 0.73 HTR2C (0.47) NPC1RAB9AL3MBTL1P2RX4SMN1; SMN2
SCHEMBL6001297 0.73 HTR2C (0.47) NPC1RAB9AL3MBTL1P2RX4SMN1; SMN2
SCHEMBL542153 0.73 HTR2C (0.49) NPC1RAB9AL3MBTL1P2RX4SMN1; SMN2
SCHEMBL542152 0.73 HTR2C (0.49) NPC1RAB9AL3MBTL1P2RX4SMN1; SMN2
SCHEMBL1834783 0.73 HTR2C (0.49) NPC1RAB9AL3MBTL1P2RX4SMN1; SMN2

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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility UNIVERSITA DEGLI STUDI DI SIENA (IT) 2009-09-24 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-20090238761-A1 Novel Aryl Piperazine Derivatives With Medical Utility HTR2C, HTR2A, DRD2 NPC1 3391/4885RAB9A 2613/4885L3MBTL1 3890/4885

“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.