SCHEMBL2099003

SCHEMBL2099003

Cc1cccc(C)c1NC(=O)CC1CNCCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.46
GSK3B P49841 1/20 0.46
DYRK1A Q13627 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 3/20 0.43
SCN3A Q9NY46 3/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SCN1A P35498 2/20 0.43
SCN2A Q99250 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 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
SCHEMBL17237648 0.81 EPHX2 (0.48) WNT1GSK3BDYRK1ALMNAGAA
SCHEMBL3829656 0.77 KMT2A (0.46) KMT2AMEN1CYP1A2CYP2C9NFKB1
SCHEMBL26098092 0.76 WNT1 (0.44) WNT1GSK3BDYRK1A
SCHEMBL2911480 0.75 WNT1 (0.41) WNT1GSK3BDYRK1ACYP1A2CYP2C9
SCHEMBL9785689 0.75 CHRM1 (0.50) KMT2AMEN1CYP1A2CYP2C9NFKB1
SCHEMBL28332563 0.74 SSTR4 (0.43) SSTR4SLC6A2
Hydrochloric Acid SCHEMBL28332580 0.73 SSTR4 (0.42) SSTR4SLC6A2
SCHEMBL25043759 0.73 WNT1 (0.40) WNT1GSK3BDYRK1ASSTR4SLC6A2
SCHEMBL22015769 0.73 SSTR4 (0.53) SSTR4
SCHEMBL23740993 0.72 WNT1 (0.67) WNT1GSK3BDYRK1AALDH1A1KCNH2

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 WNT1 3651/4885GSK3B 332/4885DYRK1A 4172/4885

“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.