SCHEMBL27012

SCHEMBL27012

CC(C1CCN(c2ccc(N)cc2)CC1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
KDM4E B2RXH2 6/20 0.44
GAA P10253 5/20 0.44
GFER P55789 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
RAD52 P43351 1/20 0.44
ALDH1A1 P00352 8/20 0.44
KMT2A Q03164 3/20 0.44
ADRA2C P18825 1/20 0.44
PTK2B Q14289 1/20 0.44
ESR2 Q92731 1/20 0.44
LMNA P02545 3/20 0.41
ALOX15 P16050 3/20 0.41
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 2/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL27717 0.80 AKR1C3 (0.52) MAPTALDH1A1KMT2ALMNAPOLB
SCHEMBL21431157 0.79 MAPT (0.53) MAPTKDM4EGAAGFERSMN1; SMN2
SCHEMBL20631 0.75 MAPT (0.61) MAPTKDM4EGAAGFERSMN1; SMN2
Dioxane SCHEMBL25199508 0.74 MAPT (0.52) MAPTKDM4EGAAGFERSMN1; SMN2
SCHEMBL77976 0.73 L3MBTL3 (0.59) MAPTKDM4EGAAGFERALDH1A1
Hydrochloric Acid SCHEMBL16209945 0.73 MAPT (0.65) MAPTKDM4EGAAGFERSMN1; SMN2
SCHEMBL20631313 0.73 LMNA (0.61) MAPTKDM4EGAAGFERSMN1; SMN2
SCHEMBL22851934 0.73 MAPT (0.39) MAPTKDM4EGAAGFERSMN1; SMN2
SCHEMBL25191607 0.73 MAPT (0.53) MAPTKDM4EGAAGFERSMN1; SMN2
SCHEMBL20009046 0.72 POLB (0.46) MAPTKDM4EALDH1A1KMT2ALMNA

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
EP-2407466-B1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 EP disclosed
US-9062035-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 US disclosed
US-8865714-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-21 US disclosed
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-05-08 US disclosed
EP-2407466-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE Taiho Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP disclosed
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 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 (2 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-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGDR, PTGS1, PTGDR2 MAPT 4854/4885KDM4E 2921/4885GAA 4719/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS MAPT 4854/4885KDM4E 3264/4885GAA 4734/4885

“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.