SCHEMBL28504

SCHEMBL28504

Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(CCn4cncn4)CC3)cc2)CC1

nearest known ligand 0.92

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 18/20 0.92
CYP3A4 P08684 2/20 0.48
CRBN Q96SW2 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 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
SCHEMBL28180 0.96 HPGDS (1.00) HPGDSCYP3A4CRBNUSP2ALDH1A1
SCHEMBL27313 0.95 HPGDS (1.00) HPGDSCYP3A4CRBNUSP2ALDH1A1
SCHEMBL28360 0.88 HPGDS (1.00) HPGDSCYP3A4CRBNUSP2ALDH1A1
SCHEMBL28514 0.85 HPGDS (1.00) HPGDSCYP3A4CRBN
SCHEMBL28315 0.82 HPGDS (1.00) HPGDSCYP3A4CRBN
SCHEMBL28039 0.81 HPGDS (1.00) HPGDSCYP3A4CRBN
SCHEMBL27841 0.81 HPGDS (1.00) HPGDSCYP3A4CRBNUSP2ALDH1A1
SCHEMBL29815 0.81 HPGDS (0.66) HPGDSCYP3A4USP2ALDH1A1SMN1; SMN2
SCHEMBL28944 0.80 HPGDS (1.00) HPGDSCYP3A4CRBN
SCHEMBL14119527 0.80 HPGDS (0.69) HPGDS

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 835/4885CRBN 3656/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS HPGDS 10/4885CYP3A4 579/4885CRBN 3791/4885

“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.