SCHEMBL3952154

SCHEMBL3952154

O=C(OCc1ccccc1)N1CC2CC1(CO)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
HTR2C P28335 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
P2RX4 Q99571 2/20 0.42
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41

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
SCHEMBL24998863 0.90 SMN1; SMN2 (0.45) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL206634 0.80 ALDH1A1 (0.46) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL3951724 0.80 HTR2C (0.47) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL4346054 0.75 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL5491000 0.75 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9AHTR2CKMT2A
SCHEMBL17530616 0.74 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AHTR2CKMT2A
SCHEMBL4330117 0.74 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL205712 0.74 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AHTR2CALDH1A1
SCHEMBL19747740 0.73 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTR2CKMT2A
SCHEMBL26113894 0.73 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CKMT2A

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
WO-2009029375-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 WO disclosed
US-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-03-05 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-20090062268-A1 NOVEL INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP11, PARP2 SMN1; SMN2 1768/4885NPC1 2840/4885RAB9A 2838/4885

“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.