SCHEMBL16247258

SCHEMBL16247258

CN1CCC(c2nc(Br)c[nH]2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.43
HTR1B P28222 8/20 0.43
HTR1F P30939 8/20 0.43
PARP1 P09874 2/20 0.37
QDPR P09417 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
THPO P40225 1/20 0.36
HTR1A P08908 3/20 0.36
USP7 Q93009 1/20 0.35
PLG P00747 1/20 0.35

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
SCHEMBL15804625 0.80 KDM4E (0.38)
SCHEMBL17001810 0.79 HTR1D (0.41) HTR1DHTR1BHTR1FPARP1QDPR
SCHEMBL14782547 0.78 HTR2B (0.38) PARP1
SCHEMBL16475544 0.76 HTR1B (0.39) HTR1DHTR1BHTR1FPARP1QDPR
SCHEMBL17001833 0.76 HTR1F (0.39) HTR1DHTR1BHTR1FPARP1QDPR
SCHEMBL20908874 0.74 HTR1F (0.38) HTR1DHTR1BHTR1FPARP1QDPR
SCHEMBL14782658 0.73 KDM4E (0.51)
SCHEMBL5950395 0.73 CHRNB2 (0.41) PARP1
SCHEMBL15430113 0.73 CHRNB2 (0.41) PARP1
SCHEMBL22130567 0.73 HTR1D (0.37) HTR1DHTR1BHTR1FPARP1QDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2016-01-07 US disclosed
US-9145392-B2 Imidazole amines as modulators of kinase activity MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MERCK PATENT GMBH (DE) 2014-11-20 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-20160000785-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 HTR1D 3304/4885HTR1B 2247/4885HTR1F 2281/4885
US-20140343029-A1 Novel Imidazole Amines as Modulators of Kinase Activity MAP3K11, MAP3K20, MAP3K19 HTR1D 3304/4885HTR1B 2247/4885HTR1F 2281/4885

“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.