SCHEMBL3595243

SCHEMBL3595243

CC(C)(C)OC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TDP1 Q9NUW8 3/20 0.63
HTT P42858 3/20 0.63
KDM4E B2RXH2 2/20 0.63
KMT2A Q03164 3/20 0.60
POLB P06746 2/20 0.60
MAPT P10636 2/20 0.60
MEN1 O00255 2/20 0.60
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
FABP1 P07148 1/20 0.58
FABP6 P51161 1/20 0.58
GAA P10253 1/20 0.58

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
SCHEMBL23552025 0.84 VEGFA (0.51) ALDH1A1TDP1HTTKDM4EKMT2A
SCHEMBL3587796 0.83 FAAH (0.60) ALDH1A1TDP1HTTKDM4ESMN1; SMN2
SCHEMBL1064531 0.82 ALDH1A1 (0.71) ALDH1A1TDP1HTTKDM4EKMT2A
SCHEMBL27663681 0.82 ALDH1A1 (0.70) ALDH1A1TDP1HTTKDM4EKMT2A
SCHEMBL16114136 0.81 BMP1 (0.53) KDM4EPOLBMAPTLMNA
SCHEMBL2853078 0.81 KMT2A (0.70) ALDH1A1TDP1HTTKDM4EKMT2A
SCHEMBL29942743 0.81 IDO1 (0.48) KDM4EMAPT
SCHEMBL8917255 0.80 ALDH1A1 (0.76) ALDH1A1TDP1HTTKDM4EKMT2A
SCHEMBL13417633 0.80 ALDH1A1 (0.76) ALDH1A1TDP1HTTKDM4EKMT2A
SCHEMBL27539906 0.80 VEGFA (0.53) ALDH1A1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2937341-A1 4-(BENZYL)-PIPERAZINE-1-CARBOXYLIC ACID PHENYLAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS Janssen Pharmaceutica N.V. (BE) 2015-10-28 EP disclosed
US-9169224-B2 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2015-10-27 US disclosed
EP-1836179-B1 PIPERIDINE- AND PIPERAZINE-1-CARBOXYLIC ACID AMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FOR THE TREATMENT OF ANXIETY, PAIN AND OTHER CONDITIONS JANSSEN PHARMACEUTICA NV (BE) 2015-05-06 EP disclosed
US-20130331396-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (US) 2013-12-12 US disclosed
US-8530476-B2 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA NV (BE) 2013-09-10 US disclosed
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-01-07 US disclosed
US-7598249-B2 4-(3,4-dibromo-benzyl)-piperazine-1-carboxylic acid pyridin-3-ylamide; fatty acid amide hydrolase (FAAH) activity; anxiety, pain, inflammation, sleep disorders, eating disorders, or movement disorders such as multiple sclerosis JANSSEN PHARMACEUTICA N.V. (BE) 2009-10-06 US disclosed
EP-1836179-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-09-26 EP disclosed
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-03 US disclosed
WO-2006074025-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-13 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 (3 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-20130331396-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, USP47 ALDH1A1 1437/4885TDP1 4071/4885HTT 287/4885
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase FAAH, FAAH2, USP47 ALDH1A1 1437/4885TDP1 4071/4885HTT 287/4885
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, USP47 ALDH1A1 1437/4885TDP1 4071/4885HTT 287/4885

“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.