SCHEMBL28379

SCHEMBL28379

O=C(Nc1nc2ccc(Br)cc2s1)N1CCN(C(=O)c2cccc(F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 6/20 1.00
LMNA P02545 1/20 0.52
GPR183 P32249 3/20 0.51
TRPV1 Q8NER1 3/20 0.51
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RAB9A P51151 1/20 0.50
DYRK1A Q13627 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
LRRK2 Q5S007 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
GFER P55789 1/20 0.49
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 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
SCHEMBL28465 0.88 HPGDS (1.00) HPGDSLMNATRPV1NPC1RAB9A
SCHEMBL3086884 0.88 HPGDS (0.79) HPGDSLMNATRPV1CYP1A2CYP3A4
SCHEMBL13148063 0.88 HPGDS (0.79) HPGDSLMNATRPV1CYP1A2CYP3A4
SCHEMBL28223 0.88 HPGDS (1.00) HPGDSLMNATRPV1RAB9ADYRK1A
SCHEMBL3087846 0.88 HPGDS (0.78) HPGDSLMNATRPV1NPC1CYP1A2
SCHEMBL3090814 0.87 HPGDS (0.78) HPGDSLMNATRPV1NPC1CYP3A4
SCHEMBL13148071 0.87 HPGDS (0.76) HPGDSLMNATRPV1NPC1RAB9A
SCHEMBL27466 0.86 HPGDS (1.00) HPGDSNPC1CYP1A2CYP3A4CYP2C19
SCHEMBL13148073 0.86 HPGDS (0.78) HPGDSLMNAGPR183TRPV1NPC1
SCHEMBL28556 0.85 HPGDS (1.00) HPGDSLMNATRPV1CYP1A2CYP3A4

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 9/4885LMNA 2857/4885GPR183 786/4885
US-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT GRIK5, GRK5, KCNJ5 HPGDS 14/4885LMNA 1412/4885GPR183 776/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS HPGDS 10/4885LMNA 3580/4885GPR183 657/4885

“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.