SCHEMBL3085587

SCHEMBL3085587

CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)N3CCN(C(=O)c4cc(F)ccc4F)CC3)cc2F)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MAPT P10636 7/20 0.49
S1PR2 O95136 1/20 0.49
NPY2R P49146 3/20 0.48
POLB P06746 1/20 0.48
TP53 P04637 3/20 0.48
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.48
NAMPT P43490 1/20 0.47
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR2C P28335 1/20 0.44
HTR6 P50406 1/20 0.44

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
SCHEMBL3085763 0.86 NPY2R (0.61) MEN1KMT2AMAPTS1PR2NPY2R
SCHEMBL3090807 0.85 POLB (0.50) MEN1KMT2AMAPTNPY2RPOLB
SCHEMBL3089588 0.84 MEN1 (0.52) MEN1KMT2AMAPTPOLBTP53
SCHEMBL5421815 0.81 NPY2R (0.55) MEN1KMT2AMAPTNPY2RLMNA
SCHEMBL7846281 0.81 F13A1 (0.53) MEN1KMT2AMAPTNPY2RNAMPT
SCHEMBL8250828 0.81 F13A1 (0.53) MEN1KMT2AMAPTNPY2RNAMPT
SCHEMBL22532774 0.80 SMN1; SMN2 (0.56) MEN1KMT2AMAPTTP53LMNA
SCHEMBL8259530 0.79 NPY2R (0.56) MEN1KMT2AMAPTNPY2RNAMPT
SCHEMBL4004656 0.78 F13A1 (0.50) MEN1KMT2AMAPTNPY2RLMNA
SCHEMBL3605204 0.78 MAPT (0.71) MEN1KMT2AMAPTS1PR2POLB

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
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US claimed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP claimed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO claimed
US-20100234377-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2010-09-16 US disclosed
EP-2150532-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Evotec AG (DE) 2010-02-10 EP disclosed
WO-2008122787-A1 PIPERAZINE COMPOUNDS FOR THE INHIBITION OF HAEMATOPOIETIC PROSTAGLANDIN D SYNTHASE EVOTEC AG (DE) 2008-10-16 WO 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 MEN1 4230/4885KMT2A 3378/4885MAPT 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.