SCHEMBL28465

SCHEMBL28465

Cc1ccc2nc(NC(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)sc2c1

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 5/20 0.55
CLK1 P49759 1/20 0.53
LMNA P02545 2/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
DYRK1A Q13627 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51
ABL1 P00519 1/20 0.50
BCR P11274 1/20 0.50
MAPK1 P28482 1/20 0.50
HCRTR1 O43613 1/20 0.49

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
SCHEMBL28556 0.89 HPGDS (1.00) HPGDSTRPV1CLK1LMNA
SCHEMBL13148063 0.88 HPGDS (0.79) HPGDSTRPV1LMNATRPM8MAPK1
SCHEMBL3086884 0.88 HPGDS (0.79) HPGDSTRPV1LMNATRPM8MAPK1
SCHEMBL28223 0.88 HPGDS (1.00) HPGDSTRPV1LMNATRPM8DYRK1A
SCHEMBL28379 0.88 HPGDS (1.00) HPGDSTRPV1LMNATRPM8DYRK1A
SCHEMBL3087846 0.88 HPGDS (0.78) HPGDSTRPV1LMNAMEN1NPC1
SCHEMBL27466 0.88 HPGDS (1.00) HPGDSDYRK1AMEN1NPC1RAB9A
SCHEMBL13148073 0.88 HPGDS (0.78) HPGDSTRPV1LMNADYRK1ANPC1
SCHEMBL3090814 0.87 HPGDS (0.78) HPGDSTRPV1LMNATRPM8DYRK1A
SCHEMBL13148071 0.87 HPGDS (0.76) HPGDSTRPV1LMNATRPM8NPC1

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 14 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-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 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
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
WO-2009140364-A2 METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 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 (4 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-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, HPGD, GMDS HPGDS 1/4885TRPV1 1313/4885CLK1 4189/4885
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.