SCHEMBL1998682

SCHEMBL1998682

Cc1cc(-c2ccc(F)cc2)ccc1C(c1cn[nH]c1-c1ccco1)N1CCN(C)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR7 P34969 2/20 0.33
LMNA P02545 1/20 0.33
FLT3 P36888 1/20 0.32
TP53 P04637 1/20 0.32
HRH1 P35367 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PIK3R1 P27986 1/20 0.31
PIK3CA P42336 1/20 0.31
POLB P06746 1/20 0.31
HTR1A P08908 1/20 0.31

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
SCHEMBL1994787 0.92 MAPT (0.33) MAPTHTTNPSR1NPC1MAPK1
SCHEMBL1998528 0.91 LMNA (0.42) MAPTNPSR1NPC1MAPK1RAB9A
SCHEMBL2761010 0.88 MAPT (0.41) MAPTHTTNPSR1L3MBTL1HTR7
SCHEMBL1998346 0.85 GSK3B (0.34) MAPTNPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL2001550 0.85 MAPT (0.37) MAPTHTTNPSR1NPC1MAPK1
SCHEMBL1995722 0.84 MAPT (0.35) MAPTHTTNPSR1NPC1MAPK1
SCHEMBL2761194 0.84 MAPT (0.34) MAPTHTTNPSR1NPC1MAPK1
SCHEMBL1998216 0.83 LMNA (0.42) MAPTNPSR1NPC1MAPK1RAB9A
SCHEMBL5745204 0.82 LMNA (0.36) MAPTHTTNPSR1MAPK1LMNA
SCHEMBL2004264 0.81 HTR1A (0.41) MAPTNPC1MAPK1RAB9ASMN1; SMN2

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 MAPT 2121/4885HTT 961/4885NPSR1 21/4885

“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.