SCHEMBL1999561

SCHEMBL1999561

CCN1CCN(C(c2ccc(-c3ccc(F)cc3)cc2)c2c(C)n[nH]c2C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.46
MAPT P10636 5/20 0.46
ACHE P22303 6/20 0.44
GAA P10253 3/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 1/20 0.39
IGF1R P08069 1/20 0.39
OPRM1 P35372 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP2D6 P10635 2/20 0.38
CHRM2 P08172 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
CHRM1 P11229 2/20 0.38
DRD2 P14416 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
CNR1 P21554 2/20 0.38
SLC6A2 P23975 2/20 0.38
HTR2A P28223 2/20 0.38

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 0.88 ACHE (0.43) LMNAMAPTACHEGAAHRH3
SCHEMBL1998316 0.79 HRH3 (0.45) LMNAMAPTACHEGAAHRH3
SCHEMBL1999534 0.79 P4HB (0.35) LMNAMAPTGAAMEN1KMT2A
SCHEMBL13911384 0.78 ACHE (0.68) LMNAMAPTACHEGAAHRH3
SCHEMBL2003455 0.75 ACHE (0.48) LMNAMAPTACHEGAAHRH3
SCHEMBL5207006 0.74 CYP2D6 (0.44) LMNAMAPTACHEGAAHRH3
Hydrochloric Acid SCHEMBL3321146 0.74 RPS6KB1 (0.43) LMNAMAPTGAAALDH1A1MEN1
Hydrochloric Acid SCHEMBL3327830 0.74 MAPT (0.47) LMNAMAPTACHEGAAALDH1A1
Hydrochloric Acid SCHEMBL3327180 0.73 RPS6KB1 (0.42) LMNAMAPTACHEGAAALDH1A1
SCHEMBL5223627 0.71 GPR55 (0.42) LMNAMAPTACHEGAAHRH3

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 LMNA 3297/4885MAPT 2121/4885ACHE 1185/4885

“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.