SCHEMBL1999534

SCHEMBL1999534

Cc1n[nH]c(C)c1C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNH2 Q12809 3/20 0.34
MAPT P10636 2/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
PRCP P42785 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FPR2 P25090 1/20 0.32

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
SCHEMBL2001196 0.81 ACHE (0.43) P4HBKCNH2MAPTLMNAGAA
SCHEMBL2001557 0.80 KCNH2 (0.37) P4HBKCNK3KCNH2DPP4DPP8
SCHEMBL1999561 0.79 LMNA (0.46) KCNH2MAPTMEN1KMT2ALMNA
SCHEMBL1999526 0.74 ROCK2 (0.39) P4HBKCNK3KCNH2DPP4DPP8
SCHEMBL5225734 0.74 GPR55 (0.39)
SCHEMBL2907737 0.68 LMNA (0.33) P4HBKCNK3KCNH2MAPTPTGS1
SCHEMBL5227625 0.68 HTR7 (0.37) P4HBKCNH2PTGS1PTGS2PSEN1
SCHEMBL7944686 0.68 ACHE (0.51) P4HB
SCHEMBL5228031 0.68 MAPK1 (0.40) KCNH2PTGS1PTGS2PSEN1PSEN2
Hydrochloric Acid SCHEMBL3321146 0.68 RPS6KB1 (0.43) MAPTMEN1KMT2ALMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960413-B2 Pyrazole compounds MERCK PATENT GMBH (DE) 2011-06-14 US disclosed
US-20060276650-A1 Pyrazole compounds MERCK PATENT GMBH (DE) 2006-12-07 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-20060276650-A1 Pyrazole compounds HTR1D, HTR1A, HTR3A P4HB 3724/4885KCNK3 553/4885KCNH2 852/4885

“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.