SCHEMBL27313

SCHEMBL27313

Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCn4cncn4)C3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 18/20 1.00
CYP3A4 P08684 2/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CRBN Q96SW2 1/20 0.45

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
SCHEMBL28504 0.95 HPGDS (0.92) HPGDSCYP3A4USP2ALDH1A1SMN1; SMN2
SCHEMBL28180 0.91 HPGDS (1.00) HPGDSCYP3A4USP2ALDH1A1SMN1; SMN2
SCHEMBL28360 0.83 HPGDS (1.00) HPGDSCYP3A4USP2ALDH1A1SMN1; SMN2
SCHEMBL28514 0.80 HPGDS (1.00) HPGDSCYP3A4CRBN
SCHEMBL29815 0.80 HPGDS (0.66) HPGDSCYP3A4USP2ALDH1A1SMN1; SMN2
SCHEMBL28315 0.79 HPGDS (1.00) HPGDSCYP3A4CRBN
SCHEMBL27841 0.78 HPGDS (1.00) HPGDSCYP3A4USP2ALDH1A1SMN1; SMN2
SCHEMBL14119527 0.77 HPGDS (0.69) HPGDS
SCHEMBL21496265 0.77 HPGDS (0.62) HPGDSALDH1A1SMN1; SMN2
SCHEMBL28039 0.77 HPGDS (1.00) HPGDSCYP3A4CRBN

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 12 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 claimed
US-8865714-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-10-21 US claimed
CN-102341385-B Piperazine compound capable of inhibiting prostaglandin d synthase TAIHO PHARMACEUTICAL CO LTD 2014-01-15 CN claimed
EP-2407466-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE Taiho Pharmaceutical Co., Ltd. (JP) 2012-01-18 EP claimed
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 US claimed
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
CN-102341385-B Piperazine compound capable of inhibiting prostaglandin d synthase TAIHO PHARMACEUTICAL CO LTD 2014-01-15 CN 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 HPGDS 9/4885CYP3A4 835/4885USP2 2802/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS HPGDS 10/4885CYP3A4 579/4885USP2 3053/4885

“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.