SCHEMBL28556

SCHEMBL28556

Cc1cc2nc(NC(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)sc2cc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 1.00
TRPV1 Q8NER1 4/20 0.54
CLK1 P49759 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP1A2 P05177 1/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
GFER P55789 1/20 0.48
UBE2M P61081 1/20 0.48
DCUN1D1 Q96GG9 1/20 0.48
MAPT P10636 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
SCHEMBL28465 0.89 HPGDS (1.00) HPGDSTRPV1CLK1LMNA
SCHEMBL3087846 0.87 HPGDS (0.78) HPGDSTRPV1SMN1; SMN2USP2CYP3A4
SCHEMBL3086884 0.85 HPGDS (0.79) HPGDSTRPV1SMN1; SMN2USP2CYP3A4
SCHEMBL13148063 0.85 HPGDS (0.79) HPGDSTRPV1SMN1; SMN2USP2CYP3A4
SCHEMBL28223 0.85 HPGDS (1.00) HPGDSTRPV1SMN1; SMN2LMNAALDH1A1
SCHEMBL28379 0.85 HPGDS (1.00) HPGDSTRPV1CYP3A4CYP1A2LMNA
SCHEMBL13148073 0.85 HPGDS (0.78) HPGDSTRPV1SMN1; SMN2USP2CYP3A4
SCHEMBL27466 0.85 HPGDS (1.00) HPGDSSMN1; SMN2USP2CYP3A4CYP1A2
SCHEMBL3090814 0.84 HPGDS (0.78) HPGDSTRPV1SMN1; SMN2USP2CYP3A4
SCHEMBL3086785 0.84 HPGDS (0.76) HPGDSTRPV1SMN1; SMN2USP2LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2527340-B1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO LTD (JP) 2016-08-17 EP disclosed
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-8765750-B2 Piperazine compound having a PGDS inhibitory effect TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-05-08 US disclosed
US-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-12-06 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 (3 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 9/4885TRPV1 317/4885CLK1 4237/4885
US-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT GRIK5, GRK5, KCNJ5 HPGDS 14/4885TRPV1 341/4885CLK1 1243/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS HPGDS 10/4885TRPV1 363/4885CLK1 4408/4885

“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.