SCHEMBL9899198

SCHEMBL9899198

COc1ccc(-c2cc(NC[C@H](N)c3ccccc3)ncn2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 19/20 0.64
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47

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
SCHEMBL4297519 0.87 FAAH (0.84) FAAH
SCHEMBL9899441 0.86 FAAH (0.76) FAAHCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL9925714 0.84 FAAH (0.77) FAAHLMNACYP1A2CYP3A4CYP2D6
SCHEMBL9925715 0.83 FAAH (0.78) FAAH
SCHEMBL9925764 0.83 FAAH (0.55) FAAHCYP1A2CYP3A4CYP2D6TSHR
SCHEMBL9925713 0.82 FAAH (0.74) FAAH
SCHEMBL16280657 0.82 FAAH (0.62) FAAH
SCHEMBL9925709 0.81 FAAH (0.60) FAAH
SCHEMBL9925711 0.81 FAAH (0.60) FAAH
SCHEMBL9925712 0.81 FAAH (0.60) FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906914-B2 Ethylene diamine modulators of fatty acid hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US claimed
US-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-06-14 US claimed
US-8906914-B2 Ethylene diamine modulators of fatty acid hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US disclosed
US-8906914-B2 Ethylene diamine modulators of fatty acid hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US disclosed
US-8906914-B2 Ethylene diamine modulators of fatty acid hydrolase JANSSEN PHARMACEUTICA NV (BE) 2014-12-09 US disclosed
US-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-06-14 US disclosed
US-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-06-14 US disclosed
US-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2012-06-14 US disclosed
WO-2011022348-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2011-02-24 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-20120149696-A1 ETHYLENE DIAMINE MODULATORS OF FATTY ACID HYDROLASE FAAH, FAAH2, APEH FAAH 1/4885LMNA 3568/4885CYP1A2 871/4885

“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.