SCHEMBL4872833

SCHEMBL4872833

O=[N+]([O-])c1ccccc1C[C@@H]1CO1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
TSHR P16473 1/20 0.53
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ACHE P22303 1/20 0.47
KDM1A O60341 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CES2 O00748 1/20 0.42
HTT P42858 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL8818395 1.00 ALDH1A1 (0.53) ALDH1A1TSHRHPGDL3MBTL1ACHE
SCHEMBL29483215 0.80 ALDH1A1 (0.47) ALDH1A1TSHRHPGDL3MBTL1ACHE
SCHEMBL29483214 0.80 ALDH1A1 (0.47) ALDH1A1TSHRHPGDL3MBTL1ACHE
SCHEMBL12573003 0.80 ALDH1A1 (0.47) ALDH1A1TSHRHPGDL3MBTL1ACHE
SCHEMBL11065207 0.79 PRMT5 (0.40) ALDH1A1TSHRHPGDL3MBTL1ACHE
SCHEMBL8548811 0.79 ALDH1A1 (0.43) ALDH1A1TSHRHPGDL3MBTL1ACHE
SCHEMBL6958361 0.78 PRMT5 (0.32) ALDH1A1TSHRHPGDL3MBTL1MEN1
SCHEMBL29826970 0.77 TDP1 (0.45) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL6480647 0.77 TDP1 (0.45) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL3202573 0.75 ALDH1A1 (0.72) ALDH1A1TSHRHPGDL3MBTL1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541765-A 3-piperidin-4-yl-indole ORL-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2009-09-23 CN disclosed
EP-1945213-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-23 EP disclosed
US-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-01-17 US disclosed
WO-2007050381-A2 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2007-05-03 WO 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-20080015214-A1 3-PIPERIDIN-4-YL-INDOLE ORL-1 RECEPTOR MODULATORS OGFRL1, OPRL1, ORMDL3 ALDH1A1 375/4885TSHR 382/4885HPGD 2625/4885

“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.