SCHEMBL499818

SCHEMBL499818

O=C1c2ccccc2C(=O)N1CC1CCO1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.84
CYP2C9 P11712 1/20 0.84
CYP2C19 P33261 1/20 0.84
ALDH1A1 P00352 12/20 0.64
KDM4E B2RXH2 5/20 0.64
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HSD17B10 Q99714 1/20 0.58
NPC1 O15118 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
S1PR4 O95977 1/20 0.51
MAPT P10636 1/20 0.51
S1PR1 P21453 1/20 0.51
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.48
TSHR P16473 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL31258922 1.00 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL25690608 1.00 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL28562135 1.00 CYP1A2 (0.84) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL3660587 0.92 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL21640458 0.90 CYP1A2 (0.91) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL5052647 0.85 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL38819 0.85 CYP2C9 (0.68) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL29402853 0.85 CYP2C9 (0.68) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL78821 0.85 CYP2C9 (0.68) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E
SCHEMBL29567211 0.85 CYP2C9 (0.68) CYP1A2CYP2C9CYP2C19ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1812421-B9 ANTHRANILAMIDE INSECTICIDES DU PONT (US) 2013-09-25 EP disclosed
EP-1812421-B1 ANTHRANILAMIDE INSECTICIDES DU PONT (US) 2013-04-24 EP disclosed
EP-2564706-A1 Anthranilamide insecticides E. I. du Pont de Nemours and Company (US) 2013-03-06 EP disclosed
US-8106075-B2 Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2012-01-31 US disclosed
US-8106075-B2 Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2012-01-31 US disclosed
US-8106075-B2 Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2012-01-31 US disclosed
US-20090133318-A1 Anthranilamide insecticides E. I. DU PONT DE NEMOURS AND COMPANY 2009-05-28 US disclosed
US-20080275065-A1 Novel Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 US disclosed
US-20080275065-A1 Novel Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 US disclosed
US-20080275065-A1 Novel Insecticides SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 US disclosed
EP-1812421-A2 ANTHRANILAMIDE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-08-01 EP disclosed
EP-1802611-A2 HETEROCYCLIC DIAMIDE INSECTICIDAL AGENTS Syngeta Participations AG (CH) 2007-07-04 EP disclosed
WO-2006055922-A2 ANTHRANILAMIDE INSECTICIDES E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-05-26 WO disclosed
WO-2006040113-A2 HETEROCYCLIC DIAMIDE INSECTICIDAL AGENTS SYNGENTA PARTICIPATIONS AG (CH) 2006-04-20 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 (2 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-20090133318-A1 Anthranilamide insecticides C3AR1, C5, C1S CYP1A2 29/4885CYP2C9 35/4885CYP2C19 371/4885
US-20080275065-A1 Novel Insecticides DDT, ACHE, CYP4F11 CYP1A2 21/4885CYP2C9 51/4885CYP2C19 186/4885

“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.