SCHEMBL171093

SCHEMBL171093

Cc1ccc(OC2CCNCC2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.47
HTR2B P41595 4/20 0.47
HRH1 P35367 3/20 0.46
HTR1A P08908 4/20 0.44
HTR3A P46098 2/20 0.44
NMT1 P30419 2/20 0.44
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
SYK P43405 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR6 P50406 1/20 0.42

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
SCHEMBL1231154 0.86 NMT1 (0.46) HTR2CHTR2BHRH1HTR1ANMT1
SCHEMBL2924499 0.83 HTR2C (0.56) HTR2CHTR2BSLC6A2SLC6A4SLC6A3
SCHEMBL12409078 0.83 PDE4B (0.56) HTR2CHTR2BNMT1HTR6
SCHEMBL5369456 0.83 HTR2C (0.51) HTR2CHTR2BHRH1NMT1SLC6A4
SCHEMBL30422771 0.83 SLC6A2 (0.52) HTR2CHTR2BHRH1HTR1ASLC6A2
SCHEMBL23410206 0.83 ACHE (0.53) HTR2CHTR2BHRH1HTR1ANMT1
SCHEMBL5383787 0.83 HTR1A (0.51) HTR2CHTR2BHRH1HTR1ANMT1
SCHEMBL13419259 0.83 SLC6A2 (0.52) HTR2CHTR2BHRH1HTR1ASLC6A2
SCHEMBL13973475 0.83 HRH1 (0.46) HTR2CHTR2BHRH1HTR1ASLC6A2
SCHEMBL24044010 0.82 KDM4E (0.46) SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MERCK PATENT GMBH (DE) 2009-10-08 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191423-A1 Isoquinoline derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070191444-A1 Benzimidazolyl derivatives MERCK PATENT GMBH (DE) 2007-08-16 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 US disclosed
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 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 (6 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-20070191444-A1 Benzimidazolyl derivatives JAK1, MARK1, RAF1 HTR2C 2648/4885HTR2B 1623/4885HRH1 258/4885
US-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS HTR2C 4340/4885HTR2B 4345/4885HRH1 2713/4885
US-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 HTR2C 4104/4885HTR2B 4256/4885HRH1 1920/4885
US-20070191423-A1 Isoquinoline derivatives ABL1, MAP3K1, MAP3K2 HTR2C 1320/4885HTR2B 2225/4885HRH1 1239/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 HTR2C 4104/4885HTR2B 4256/4885HRH1 1920/4885
US-20090253688-A1 Semicarbazide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP3K2 HTR2C 1828/4885HTR2B 1680/4885HRH1 861/4885

“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.