SCHEMBL469235

SCHEMBL469235

CC[C@H](C)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.39
PDE2A O00408 3/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.38
MLYCD O95822 2/20 0.37
GPR139 Q6DWJ6 1/20 0.37
TRPV3 Q8NET8 3/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
EPHX2 P34913 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 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
SCHEMBL13104238 1.00 POLB (0.43) POLBHPGDSMN1; SMN2LMNATP53
SCHEMBL13677362 1.00 POLB (0.43) POLBHPGDSMN1; SMN2LMNATP53
SCHEMBL21510030 0.86 POLB (0.44) POLBHPGDSMN1; SMN2MAPTMAPK1
SCHEMBL26803183 0.85 MLYCD (0.35) POLBHPGDSMN1; SMN2LMNATP53
SCHEMBL24856143 0.83 POLB (0.41) POLBHPGDSMN1; SMN2MAPK1PDE2A
SCHEMBL16019759 0.82 RORC (0.38) SMN1; SMN2LMNAMAPTMAPK1MLYCD
SCHEMBL20339591 0.82 PDE2A (0.54) POLBHPGDSMN1; SMN2MAPK1PDE2A
SCHEMBL23084241 0.81 POLB (0.40) POLBHPGDSMN1; SMN2MAPK1PDE2A
SCHEMBL276832 0.81 KMT2A (0.43) POLBHPGDSMN1; SMN2MAPTMAPK1
SCHEMBL9987907 0.81 KMT2A (0.41) POLBHPGDSMN1; SMN2MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP 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

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 POLB 4302/4885HPGD 2178/4885SMN1; SMN2 1758/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 POLB 4302/4885HPGD 2178/4885SMN1; SMN2 1758/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 POLB 4235/4885HPGD 2211/4885SMN1; SMN2 2075/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 POLB 4235/4885HPGD 2211/4885SMN1; SMN2 2075/4885

“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.