SCHEMBL568436

SCHEMBL568436

CCC1CC(=O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.49
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
HTR2A P28223 1/20 0.42
S100A4 P26447 1/20 0.41
ADORA3 P0DMS8 1/20 0.39
AR P10275 1/20 0.39
HSD11B1 P28845 1/20 0.39
AKR1C3 P42330 1/20 0.39
LMNA P02545 1/20 0.39
METAP1 P53582 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CYP19A1 P11511 1/20 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
SCHEMBL9069615 0.84 HTR2C (0.44) HTR2CBCHEACHES100A4
SCHEMBL7661693 0.83 HTR2C (0.43) HTR2CBCHEACHE
SCHEMBL27707894 0.82 HTR2C (0.46) HTR2CHTR2AS100A4ADORA3AR
SCHEMBL2390468 0.82 HTR2C (0.46) HTR2CHTR2AS100A4ADORA3AR
SCHEMBL11078614 0.81 BCHE (0.38) HTR2CBCHEACHEHTR2ACYP19A1
SCHEMBL16377312 0.80 S100A4 (0.55) ACHES100A4LMNAMETAP1CYP19A1
SCHEMBL6588001 0.79 MAOB (0.47) HTR2CHTR2AHSD11B1CYP19A1
SCHEMBL7031699 0.79 HTR2C (0.41) HTR2CAKR1C3LMNA
SCHEMBL19237102 0.78 CDK8 (0.43) HTR2CBCHEACHEHTR2ALMNA
SCHEMBL23617909 0.78 HTR2C (0.43) HTR2CHTR2AS100A4ADORA3AR

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-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-11-13 US disclosed
US-8815881-B2 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds HOFFMANN-LA ROCHE INC. (US) 2014-08-26 US disclosed
EP-2603496-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2013-06-19 EP disclosed
CN-103068806-A 1,4,5,6-tetrahydro-pyrimidin-2-ylamine compounds SIENA BIOTECH SPA 2013-04-24 CN disclosed
WO-2012019966-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-02-16 WO disclosed
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS SIENA BIOTECH S.P.A., AN ITALIAN COMPANY (IT) 2012-02-09 US disclosed
US-20110263486-A1 Inhibitors of Cancer Cell, T-Cell and Keratinocyte Proliferation 4SC AG (DE) 2011-10-27 US disclosed
WO-2009149906-A2 PREPARATION OF SILOXY-BRIDGED METALLOCENES BASELL POLYOLEFINE GMBH (DE) 2009-12-17 WO disclosed
US-20090176716-A1 INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION LEBAN JOHANN 2009-07-09 US disclosed
US-7544825-B1 Preparation of siloxy-bridged metallocenes BASELL POLYOLEFINE GMBH (DE) 2009-06-09 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070037753-A1 Inhibitors of cancer cell, T-cell and keratinocyte proliferation 4SC AG (DE) 2007-02-15 US disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 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 (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-20090176716-A1 INHIBITORS OF CANCER CELL, T-CELL AND KERATINOCYTE PROLIFERATION H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EGFR, MKI67 HTR2C 1861/4885BCHE 3818/4885ACHE 4749/4885
US-20070037753-A1 Inhibitors of cancer cell, T-cell and keratinocyte proliferation H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EGFR, MKI67 HTR2C 1910/4885BCHE 3695/4885ACHE 4754/4885
US-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 HTR2C 78/4885BCHE 682/4885ACHE 389/4885
US-20140336208-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 HTR2C 808/4885BCHE 90/4885ACHE 331/4885
US-20110263486-A1 Inhibitors of Cancer Cell, T-Cell and Keratinocyte Proliferation H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, EGFR, MKI67 HTR2C 1802/4885BCHE 3907/4885ACHE 4752/4885
US-20120035195-A1 1,4,5,6-TETRAHYDRO-PYRIMIDIN-2-YLAMINE COMPOUNDS BACE2, BACE1, PSEN2 HTR2C 808/4885BCHE 90/4885ACHE 331/4885

“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.