SCHEMBL10112196

SCHEMBL10112196

CN1CCC(/C(=N/O)c2ccc(Br)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.49
ALDH1A1 P00352 2/20 0.47
DUSP3 P51452 1/20 0.47
PTPN5 P54829 1/20 0.47
PTPN11 Q06124 1/20 0.47
HRH4 Q9H3N8 3/20 0.47
HRH3 Q9Y5N1 1/20 0.47
POLB P06746 2/20 0.44
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
MGLL Q99685 1/20 0.38
HSD11B1 P28845 1/20 0.38
SLC18A3 Q16572 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
SCHEMBL10634927 0.84 HRH4 (0.47) HRH4HRH3LMNAHSD11B1
SCHEMBL13714953 0.83 HRH4 (0.56) HRH4HRH3KMT2A
SCHEMBL10112201 0.77 HSD11B1 (0.60) CCR5ALDH1A1DUSP3PTPN5PTPN11
SCHEMBL21710448 0.71 CCR5 (0.52) CCR5
SCHEMBL4195672 0.71 MGLL (0.57) POLBKMT2AMGLLHSD11B1SLC18A3
SCHEMBL10200570 0.70 DUSP3 (0.69) ALDH1A1DUSP3PTPN5PTPN11HRH4
SCHEMBL10200555 0.70 DUSP3 (0.69) ALDH1A1DUSP3PTPN5PTPN11HRH4
SCHEMBL16285313 0.70 HRH4 (0.52) ALDH1A1HRH4HRH3POLBKMT2A
SCHEMBL11200819 0.70 HRH4 (0.49) ALDH1A1HRH4HRH3KMT2ALMNA
SCHEMBL13636392 0.70 LMNA (0.42) CCR5ALDH1A1HRH4POLBKMT2A

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-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 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 (1 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 CCR5 558/4885ALDH1A1 1148/4885DUSP3 1133/4885

“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.