SCHEMBL3595247

SCHEMBL3595247

CC(C)(C)OC(=O)N1CCN(C(Cc2ccccc2)C2=COCO2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.42
STS P08842 1/20 0.41
ACHE P22303 1/20 0.41
YAP1 P46937 2/20 0.40
ABCB1 P08183 1/20 0.40
GAA P10253 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRM1 P11229 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM3 P20309 1/20 0.40
GLS O94925 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
P2RX7 Q99572 2/20 0.38

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
SCHEMBL3317738 0.81 CHRM1 (0.36) CHRM1KDM4E
SCHEMBL3591699 0.79 FAAH (0.50) KDM4E
Hydrochloric Acid SCHEMBL3605151 0.78 FAAH (0.49) SMN1; SMN2KDM4E
SCHEMBL3708454 0.76 CYP1A2 (0.40) CHRM1
SCHEMBL2861866 0.75 MEN1 (0.51) SMN1; SMN2PKM
SCHEMBL5413838 0.74 GPR119 (0.47) GPR119STSACHEYAP1ABCB1
SCHEMBL592971 0.74 SLC6A4 (0.61)
SCHEMBL5407828 0.73 YAP1 (0.51) GPR119STSACHEYAP1GLS
Hydrochloric Acid SCHEMBL6681607 0.73 MCHR1 (0.44) CHRM1
SCHEMBL4402076 0.73 GPR119 (0.45) GPR119STSACHEYAP1ABCB1

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 GPR119 164/4885STS 3848/4885ACHE 549/4885
US-20060173184-A1 Piperazinyl and piperidinyl ureas as modulators of fatty acid amide hydrolase FAAH, FAAH2, USP47 GPR119 164/4885STS 3848/4885ACHE 549/4885
US-20100004261-A1 PIPERAZINYL AND PIPERIDINYL UREAS AS MODULATORS OF FATTY ACID AMIDE HYDROLASE FAAH, FAAH2, USP47 GPR119 164/4885STS 3848/4885ACHE 549/4885

“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.