SCHEMBL2334878

SCHEMBL2334878

C1CC[C](CC2CCCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
DAO P14920 1/20 0.36
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
CHRM5 P08912 2/20 0.35
CYP1A2 P05177 1/20 0.35
ADRA2C P18825 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CEL P19835 1/20 0.34
LTA4H P09960 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KMT2A Q03164 1/20 0.33
NOS3 P29474 1/20 0.33
DPP7 Q9UHL4 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL6585017 1.00 HTR3A (0.39) HTR3AHRH4DAONOS1NOS2
SCHEMBL1524741 1.00 HTR3A (0.39) HTR3AHRH4DAONOS1NOS2
SCHEMBL1524762 1.00 HTR3A (0.39) HTR3AHRH4DAONOS1NOS2
SCHEMBL15552104 1.00 HTR3A (0.39) HTR3AHRH4DAONOS1NOS2
SCHEMBL6696059 0.97 HTR3A (0.35) HTR3AHRH4DAONOS1NOS2
SCHEMBL23611455 0.94 HTR3A (0.34) HTR3AHRH4DAONOS1NOS2
SCHEMBL1524893 0.91 HTR3A (0.31) HTR3AHRH4NOS1NOS2NOS3
SCHEMBL6693306 0.91 HTR3A (0.40) HTR3AHRH4DAONOS1NOS2
SCHEMBL2323788 0.91 HTR3A (0.31) HTR3AHRH4NOS1NOS2NOS3
SCHEMBL2463395 0.91 HTR3A (0.31) HTR3AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139613-B2 Macrocyclic compounds and methods for their production NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-22 US disclosed
EP-2691413-B1 MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION NEUROVIVE PHARMACEUTICAL AB (SE) 2014-12-24 EP disclosed
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production NEUROVIVE PHARMACEUTICAL AB (SE) 2014-02-06 US disclosed
EP-2691413-A1 MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION Neurovive Pharmaceutical AB (SE) 2014-02-05 EP disclosed
EP-1948173-B1 HYDROXY AND ALKOXY SUBSTITUTED 1H-IMIDAZOQUINOLINES AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2013-07-17 EP disclosed
WO-2012131377-A1 MACROCYCLIC COMPOUNDS AND METHODS FOR THEIR PRODUCTION BIOTICA TECHNOLOGY LIMITED (GB) 2012-10-04 WO disclosed
WO-2011110367-A2 METHOD OF SCREENING FOR HTRA PROTEASE INHIBITORS USEFUL FOR PROPHYLAXIS AND THERAPY OF A BACTERIAL INFECTION PAUL-EHRLICH-INSTITUT (DE) 2011-09-15 WO disclosed
WO-2011098805-A1 SANGLIFEHRIN BASED COMPOUNDS BIOTICA TECHNOLOGY LIMITED (GB) 2011-08-18 WO disclosed
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US disclosed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US disclosed
CN-1283624-C Prostaglandin derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2006-11-08 CN disclosed
CN-1665782-A Prostaglandin derivatives TAISHO PHARMACEUTICAL CO LTD (JP) 2005-09-07 CN disclosed
CN-1144783-C prostaglandin derivatives ������ҩ��ʽ���� 2004-04-07 CN disclosed
US-4721523-A Herbicidal agents containing photosynthesis-inhibiting herbicides in combination with carbamate derivatives BAYER AKTIENGESELLSCHAFT (DE) 1988-01-26 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-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE HTR3A 1480/4885HRH4 1605/4885DAO 287/4885
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production HAVCR2, RPL35, CD4 HTR3A 4175/4885HRH4 2956/4885DAO 2272/4885

“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.