SCHEMBL6345968

SCHEMBL6345968

CN1CCN(C(=O)c2ccc3cc(O)c(O)cc3c2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.75
TSHR P16473 2/20 0.75
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
POLB P06746 3/20 0.55
ALOX15 P16050 2/20 0.53
AKR1C1 Q04828 1/20 0.52
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
USP2 O75604 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL20449044 0.92 HPGD (0.87) HPGDTSHRKMT2AMEN1POLB
SCHEMBL4548025 0.86 TSHR (1.00) HPGDTSHRKMT2AMEN1POLB
SCHEMBL9012838 0.85 KMT2A (0.64) HPGDTSHRKMT2AMEN1POLB
SCHEMBL2378399 0.83 HPGD (0.73) HPGDTSHRKMT2AMEN1POLB
SCHEMBL24976158 0.81 HPGD (0.74) HPGDTSHRKMT2AMEN1POLB
SCHEMBL12217821 0.79 KMT2A (0.60) HPGDTSHRKMT2AMEN1POLB
SCHEMBL10724841 0.79 POLB (0.81) HPGDTSHRKMT2AMEN1POLB
SCHEMBL21750444 0.77 HPGD (0.64) HPGDTSHRKMT2AMEN1POLB
SCHEMBL21750465 0.76 HPGD (0.63) HPGDTSHRKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL17390093 0.76 HPGD (0.63) HPGDTSHRKMT2AMEN1POLB

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
US-6903114-B2 Derivatives of naphthalene with COMT inhibiting activity ORION CORPORATION (FI) 2005-06-07 US disclosed
US-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity ORION CORPORATION (FI) 2004-02-19 US disclosed
EP-1317411-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2003-06-11 EP disclosed
WO-2002022551-A1 DERIVATIVES OF NAPHTHALENE WITH COMT INHIBITING ACTIVITY ORION CORPORATION (FI) 2002-03-21 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-20040034011-A1 Derivatives of naphthalene with comt inhibiting activity COMT, CYP1A1, CYP1B1 HPGD 191/4885TSHR 4016/4885KMT2A 1849/4885

“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.