SCHEMBL33261

SCHEMBL33261

Cc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.64
▸ SMN1; SMN2 Q16637 5/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ MAPT P10636 4/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ KMT2A Q03164 4/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ HPGD P15428 1/20 0.57
▸ CASP1 P29466 1/20 0.57
▸ CASP7 P55210 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ HTT P42858 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ HPGDS O60760 3/20 0.55
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ NAMPT P43490 1/20 0.53
▸ TSHR P16473 1/20 0.52

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
SCHEMBL5167845 0.87 NPC1 (0.57) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3109609 0.86 MAPT (0.67) AKR1C3SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL14320652 0.85 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3109816 0.85 KMT2A (0.60) AKR1C3SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL24127160 0.85 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL19187554 0.84 TDP1 (0.73) AKR1C3SMN1; SMN2ALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL26086245 0.84 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL3088391 0.83 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27363823 0.82 TDP1 (0.61) AKR1C3SMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL22542070 0.82 ALDH1A1 (0.69) AKR1C3SMN1; SMN2ALDH1A1MAPTMEN1

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 13 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 disclosed
US-9062035-B2 Piperazine compound capable of inhibiting prostaglandin D synthase TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-06-23 — — US 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-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
US-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-05-08 — — US disclosed
US-8258129-B2 4-heterocycloalkylpyri(mi)dines, process for the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 — — 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-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE TAIHO PHARMACEUTICAL CO., LTD. (JP) 2011-12-29 — — US disclosed
WO-2010104024-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE 大鵬薬品工業株式会社 (JP) 2010-09-16 — — WO disclosed
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-13 — — 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 AKR1C3 98/4885SMN1; SMN2 4280/4885ALDH1A1 360/4885
US-20090203673-A1 4-HETEROCYCLOALKYLPYRI(MI)DINES, PROCESS FOR THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS CCNI, MKI67, CCNA1 AKR1C3 638/4885SMN1; SMN2 1172/4885ALDH1A1 293/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS AKR1C3 187/4885SMN1; SMN2 4611/4885ALDH1A1 257/4885

“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.

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