SCHEMBL3085208

SCHEMBL3085208

CC(C)(C)C(=O)N1CCN(c2ccc(N)cc2F)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
HTT P42858 1/20 0.57
MAPT P10636 5/20 0.54
LMNA P02545 4/20 0.54
MAPK1 P28482 2/20 0.54
GFER P55789 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SLC6A9 P48067 2/20 0.49
GPR55 Q9Y2T6 1/20 0.49
GPR174 Q9BXC1 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TP53 P04637 1/20 0.44
IDE P14735 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
NPY2R P49146 1/20 0.42

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
SCHEMBL18701770 0.86 ALDH1A1 (0.60) ALDH1A1HTTMAPTLMNAMAPK1
SCHEMBL18997528 0.84 ALDH1A1 (0.62) ALDH1A1HTTMAPTLMNAMAPK1
SCHEMBL3099621 0.84 GFER (0.58) ALDH1A1HTTMAPTLMNAMAPK1
SCHEMBL660403 0.84 NR1H2 (0.53) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL3085206 0.84 ALDH1A1 (0.58) ALDH1A1HTTMAPTLMNAMEN1
SCHEMBL29508938 0.84 NR1H2 (0.53) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL3922259 0.82 MAPT (0.63) ALDH1A1HTTMAPTLMNAMAPK1
SCHEMBL1983332 0.81 MAPT (0.54) ALDH1A1HTTMAPTLMNAMAPK1
SCHEMBL13419683 0.81 MAPT (0.54) ALDH1A1MAPTLMNAMAPK1GFER
SCHEMBL3093997 0.81 ALDH1A1 (0.54) ALDH1A1HTTMAPTLMNAMAPK1

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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 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-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, PTGDR, PTGIS ALDH1A1 614/4885HTT 4181/4885MAPT 4774/4885

“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.