SCHEMBL442860

SCHEMBL442860

C[C@H](c1ncccc1F)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.39
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 1/20 0.36
HRH1 P35367 1/20 0.36
KCNH2 Q12809 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NFE2L2 Q16236 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
CNR1 P21554 1/20 0.31
MPI P34949 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
PDK2 Q15119 1/20 0.30

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
SCHEMBL22623952 1.00 TRPM8 (0.39) TRPM8CYP2D6CHRM1HRH1KCNH2
SCHEMBL12363971 1.00 TRPM8 (0.39) TRPM8CYP2D6CHRM1HRH1KCNH2
SCHEMBL9963324 0.81 CYP2D6 (0.40) TRPM8CYP2D6CHRM1HRH1KCNH2
SCHEMBL9963348 0.80 CYP2D6 (0.38) TRPM8CYP2D6CHRM1HRH1KCNH2
SCHEMBL26271653 0.78 NOS3 (0.47) CYP2D6HRH1KCNH2L3MBTL1KDM4E
SCHEMBL1333758 0.77 CYP2D6 (0.36) TRPM8CYP2D6CHRM1HRH1KCNH2
SCHEMBL26271635 0.77 CYP2D6 (0.36) CYP2D6HRH1NFE2L2ALDH1A1TRPV1
SCHEMBL25211250 0.76 TRPM8 (0.41) TRPM8CYP2D6CHRM1HRH1KCNH2
SCHEMBL21547452 0.76 CYP2D6 (0.41) TRPM8CYP2D6CHRM1HRH1KCNH2
SCHEMBL506640 0.76 TRPM8 (0.41) TRPM8CYP2D6CHRM1HRH1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 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 (4 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 TRPM8 54/4885CYP2D6 3845/4885CHRM1 908/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 TRPM8 54/4885CYP2D6 3845/4885CHRM1 908/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TRPM8 51/4885CYP2D6 3769/4885CHRM1 915/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 TRPM8 51/4885CYP2D6 3769/4885CHRM1 915/4885

“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.