SCHEMBL13093649

SCHEMBL13093649

CC(=O)N1CCN(C(C)(C)C)CC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
RIPK1 Q13546 8/20 0.49
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
P2RX7 Q99572 3/20 0.43
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
HHAT Q5VTY9 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL25530325 0.85 RIPK1 (0.52) POLBRIPK1HRH3P2RX7NR1H2
SCHEMBL16510056 0.80 POLB (0.60) POLBRIPK1MEN1TSHRHTT
SCHEMBL18711396 0.79 POLB (0.61) POLBRIPK1MEN1TSHRHTT
SCHEMBL22055741 0.78 POLB (0.57) POLBMEN1TSHRHTTKMT2A
SCHEMBL1580110 0.77 ABHD6 (0.55) POLBRIPK1MEN1TSHRHTT
SCHEMBL28018952 0.77 RIPK1 (0.50) POLBRIPK1MEN1TSHRHTT
SCHEMBL20993582 0.76 HRH3 (0.42) RIPK1HRH3KMT2AP2RX7
SCHEMBL13093645 0.76 CHRNB2 (0.51) RIPK1HRH3P2RX7
SCHEMBL24011067 0.76 RIPK1 (0.68) POLBRIPK1MEN1TSHRHTT
SCHEMBL25533005 0.74 P2RX7 (0.54) RIPK1HRH3P2RX7NR1H2NR1H3

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-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 POLB 4302/4885RIPK1 1331/4885HRH3 423/4885

“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.