SCHEMBL4872827

SCHEMBL4872827

O=[N+]([O-])c1cccc(C[C@@H]2CO2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
PRMT5 O14744 1/20 0.55
WDR77 Q9BQA1 1/20 0.55
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 2/20 0.49
KDM1A O60341 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
PYCR1 P32322 1/20 0.43

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
SCHEMBL8818391 1.00 TSHR (0.56) TSHRPRMT5WDR77LMNAPOLB
SCHEMBL4872837 1.00 TSHR (0.56) TSHRPRMT5WDR77LMNAPOLB
SCHEMBL20509046 0.82 TSHR (0.47) TSHRPRMT5WDR77LMNAPOLB
SCHEMBL5093206 0.80 LOXL2 (0.50) TSHRPRMT5WDR77LMNAPOLB
SCHEMBL7142635 0.78 ALDH1A1 (0.45) TSHRLMNAALDH1A1KMT2AMEN1
Water SCHEMBL28905301 0.77 ALDH1A1 (0.44) TSHRLMNAALDH1A1KMT2AMEN1
SCHEMBL10918542 0.75 TSHR (0.71) TSHRLMNAPOLBALDH1A1MAPT
SCHEMBL27532857 0.74 TSHR (0.56) TSHRLMNAPOLBALDH1A1MAPT
SCHEMBL4199942 0.74 ALDH1A1 (0.66) TSHRPRMT5WDR77LMNAALDH1A1
SCHEMBL4199936 0.74 ALDH1A1 (0.66) TSHRPRMT5WDR77LMNAALDH1A1

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 TSHR 382/4885PRMT5 945/4885WDR77 1877/4885

“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.