SCHEMBL16433016

SCHEMBL16433016

COc1cc(CN2CCC(N(C)C(=O)n3cnc(-c4ccc(OS(N)(=O)=O)cc4)c3)CC2)cc(OC)c1.CS(=O)(=O)O

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.42
FAAH O00519 1/20 0.41
CES2 O00748 1/20 0.41
CCR5 P51681 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CA2 P00918 4/20 0.37
CA9 Q16790 4/20 0.37
OPRM1 P35372 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM3 P20309 1/20 0.37
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA4 P22748 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
ACVR1 Q04771 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL16433097 0.98 MCHR1 (0.44) MCHR1FAAHCES2CCR5SIGMAR1
Hydrochloric Acid SCHEMBL16432943 0.97 MCHR1 (0.43) MCHR1FAAHCES2CCR5SIGMAR1
Fumaric Acid SCHEMBL17819158 0.93 MCHR1 (0.41) MCHR1FAAHCES2CCR5SIGMAR1
Maleic Acid SCHEMBL17819157 0.93 MCHR1 (0.41) MCHR1FAAHCES2CCR5SIGMAR1
SCHEMBL17828662 0.93 MCHR1 (0.40) MCHR1FAAHCES2CCR5CA2
SCHEMBL16433132 0.91 KDM4E (0.44) MCHR1FAAHCES2CCR5SIGMAR1
Hydrochloric Acid SCHEMBL17819170 0.90 KDM4E (0.43) MCHR1FAAHCES2CCR5SIGMAR1
SCHEMBL16439369 0.90 FAAH (0.44) MCHR1FAAHCES2CCR5SIGMAR1
SCHEMBL16439294 0.90 MCHR1 (0.43) MCHR1FAAHCES2CCR5SIGMAR1
Hydrochloric Acid SCHEMBL17819166 0.89 FAAH (0.43) MCHR1FAAHCES2CCR5SIGMAR1

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-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 US disclosed
EP-3027610-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - Portela & Cª S.A. (PT) 2016-06-08 EP disclosed
WO-2015016728-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 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-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors FAAH, FAAH2, HRH2 MCHR1 2390/4885FAAH 1/4885CES2 33/4885

“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.