SCHEMBL2098191

SCHEMBL2098191

CCNCCCC(=O)Nc1ccc(OC)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.63
RAB9A P51151 1/20 0.63
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
NPSR1 Q6W5P4 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 1/20 0.53
F2 P00734 1/20 0.53
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
IMPDH2 P12268 1/20 0.50
IMPDH1 P20839 1/20 0.50
ALDH1A1 P00352 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL21852785 0.83 NPC1 (0.64) NPC1RAB9ACYP1A2CYP2C19NPSR1
SCHEMBL27909128 0.82 NPC1 (0.71) NPC1RAB9ACYP1A2CYP2C19NPSR1
SCHEMBL12659371 0.82 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2C19NPSR1
SCHEMBL27892111 0.82 NPC1 (0.71) NPC1RAB9ACYP1A2CYP2C19NPSR1
SCHEMBL7959692 0.82 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2C19NPSR1
SCHEMBL9079459 0.82 NPC1 (0.67) NPC1RAB9ACYP1A2CYP2C19NPSR1
SCHEMBL31592087 0.81 NPC1 (0.66) NPC1RAB9ACYP1A2CYP2C19NPSR1
SCHEMBL7945968 0.81 NPC1 (0.66) NPC1RAB9ACYP1A2CYP2C19NPSR1
SCHEMBL7945846 0.80 NPC1 (0.64) NPC1RAB9ACYP1A2CYP2C19NPSR1
SCHEMBL3970414 0.79 SMN1; SMN2 (0.68) NPC1RAB9ACYP1A2CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221206-A1 Compounds Derived From Lidocaine, Pharmaceutical Compositions, Use And Method Of Treatment, Prevention Or Inhibition Of Disease FUNDÇÃO OSWALDO CRUZ-FIOCRUZ (BR) 2008-09-11 US claimed
US-8163803-B2 less anesthetic activity, but with more anti-inflammatory and spasmolytic activity; asthma, rhinitis, allergic urticaria, chronic lung inflammation associated with eosinophilia, following the example of atopic asthma and chronic intestinal inflammation, as colitis for instance Fundação Oswaldo Cruz—FIOCRUZ (BR) 2012-04-24 US disclosed
US-20080221206-A1 Compounds Derived From Lidocaine, Pharmaceutical Compositions, Use And Method Of Treatment, Prevention Or Inhibition Of Disease FUNDÇÃO OSWALDO CRUZ-FIOCRUZ (BR) 2008-09-11 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-20080221206-A1 Compounds Derived From Lidocaine, Pharmaceutical Compositions, Use And Method Of Treatment, Prevention Or Inhibition Of Disease LTA, LCT, LTC4S NPC1 1548/4885RAB9A 1674/4885CYP1A2 696/4885

“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.