SCHEMBL10104531

SCHEMBL10104531

COCCN1CCN(c2cc(C)cc(OC(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.47
HTR1A P08908 3/20 0.43
DRD2 P14416 3/20 0.43
HTR2A P28223 1/20 0.43
HTR7 P34969 1/20 0.43
ADRA1A P35348 1/20 0.43
KCNH2 Q12809 3/20 0.41
ALDH1A1 P00352 1/20 0.40
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP14 P50281 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PIM1 P11309 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
SUV39H2 Q9H5I1 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10104356 0.84 TSHR (0.54) FFAR4HTR1AALDH1A1PIM1TSHR
SCHEMBL10104342 0.82 FFAR4 (0.51) FFAR4ALDH1A1
SCHEMBL10104365 0.82 NPSR1 (0.47) FFAR4HTR1ADRD2ALDH1A1NPSR1
SCHEMBL10104358 0.77 FFAR4 (0.47) FFAR4ALDH1A1
SCHEMBL10104546 0.75 FFAR4 (0.50) FFAR4ALDH1A1
SCHEMBL19457814 0.75 ADRB1 (0.53) FFAR4HTR1AALDH1A1PIM1
SCHEMBL8350747 0.74 MAPT (0.58) HTR1ADRD2HTR2AHTR7ADRA1A
SCHEMBL2098176 0.72 FFAR4 (0.41) FFAR4ALDH1A1TSHR
SCHEMBL15943679 0.71 HRH1 (0.43) HTR1ADRD2HTR2AHTR7ADRA1A
SCHEMBL2781546 0.71 HTR1A (0.47) HTR1ADRD2HTR2AHTR7ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 US disclosed
US-8653087-B2 Pyrido [5, 4-D] pyrimidines as cell proliferation inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-19 US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 FFAR4 4204/4885HTR1A 1444/4885DRD2 2798/4885
US-20120094975-A1 PYRIDO [5, 4-D] PYRIMIDINES AS CELL PROLIFERATION INHIBITORS CCNT1, CCNA1, CCND1 FFAR4 2848/4885HTR1A 549/4885DRD2 2828/4885

“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.