SCHEMBL786000

SCHEMBL786000

CNC1CCN(c2ccc(OC)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR3A P46098 1/20 0.54
HTR3D Q70Z44 1/20 0.54
HTR3C Q8WXA8 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
POLB P06746 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
GFER P55789 1/20 0.51
SLC18A3 Q16572 1/20 0.50
RAB9A P51151 4/20 0.49
KMT2A Q03164 3/20 0.49
DRD2 P14416 1/20 0.49
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
HRH4 Q9H3N8 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
SCHEMBL28365203 0.82 HTR3E (0.49) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL8690945 0.82 ADRB1 (0.58) ADRB1MAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL5258684 0.82 LTA4H (0.55) MAPTSMN1; SMN2NPC1HRH3LMNA
SCHEMBL27821247 0.81 MAPT (0.50) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL5547938 0.81 CASR (0.50)
SCHEMBL13035732 0.80 POLB (0.60) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL3440289 0.80 MAPT (0.55) POLBL3MBTL1MAPTSMN1; SMN2GFER
SCHEMBL8728954 0.80 ADRB1 (0.50) ADRB1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL17557716 0.80 MAPT (0.62) SIGMAR1POLBL3MBTL1MAPTSMN1; SMN2
SCHEMBL29656856 0.79 HTR3E (0.73) HTR3EHTR3BADRB1HTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117185987-A Amidine and guanidine derivatives, preparation method and medical application thereof 四川科伦博泰生物医药股份有限公司 2023-12-08 CN disclosed
CN-111630048-B Amidine and guanidine derivatives, preparation method and medical application thereof 四川科伦博泰生物医药股份有限公司 2023-09-29 CN disclosed
CN-111630048-A Amidine and guanidine derivatives, preparation method and application thereof in medicines 四川科伦博泰生物医药股份有限公司 2020-09-04 CN disclosed
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 US disclosed
US-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors BIAL-PORTELA & CA, S.A. (PT) 2016-06-16 US disclosed
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
CN-105593226-A Urea compounds and their use as FAAH enzyme inhibitors BIAL-PORTELA & CA S A 2016-05-18 CN disclosed
WO-2015016729-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
WO-2015016729-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
WO-2015016728-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
WO-2015016728-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-5767116-A TREATING PSYCHOSES KNOLL ATKIENGESELLSCHAFT (DE) 1998-06-16 US 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-20160166560-A1 Urea Compounds and Their Use as FAAH Enzyme Inhibitors FAAH, FAAH2, HRH2 HTR3E 818/4885HTR3B 554/4885ADRB1 537/4885
US-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 HTR3E 565/4885HTR3B 311/4885ADRB1 52/4885

“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.