SCHEMBL3089588

SCHEMBL3089588

CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(F)ccc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 2/20 0.50
TP53 P04637 4/20 0.48
LMNA P02545 3/20 0.48
THRB P10828 2/20 0.48
TNKS O95271 1/20 0.48
PARP1 P09874 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
GPR119 Q8TDV5 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2846468 0.89 KDM4E (0.55) MEN1KMT2APOLBMAPTTP53
SCHEMBL1966416 0.86 SMN1; SMN2 (0.45) MEN1KMT2APOLBMAPTTP53
SCHEMBL1966083 0.86 SMN1; SMN2 (0.45) MEN1KMT2APOLBMAPTTP53
SCHEMBL224423 0.86 GPR119 (0.49) MEN1KMT2APOLBMAPTTP53
SCHEMBL3932338 0.85 PARP1 (0.54) MEN1KMT2APOLBTP53THRB
SCHEMBL30691922 0.84 P2RX7 (0.57) MEN1KMT2APOLBMAPTTP53
SCHEMBL13633365 0.84 POLB (0.47) MEN1KMT2APOLBMAPTTP53
SCHEMBL3934287 0.84 POLB (0.47) MEN1KMT2APOLBMAPTTP53
SCHEMBL3085587 0.84 MEN1 (0.50) MEN1KMT2APOLBMAPTTP53
SCHEMBL4473489 0.83 POLB (0.61) MEN1KMT2APOLBMAPTTP53

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 3 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 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 3378/4885POLB 760/4885

“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.