SCHEMBL458122

SCHEMBL458122

CCOC(=O)c1ccc(N2CCC(NC(=O)OCc3ccccc3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
ME3 Q16798 1/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
TSHR P16473 2/20 0.51
CHRM4 P08173 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
EPHX1 P07099 1/20 0.48
HSD11B1 P28845 1/20 0.48
DPP4 P27487 1/20 0.48
KCNH2 Q12809 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TGM2 P21980 1/20 0.46
SYK P43405 1/20 0.46

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
SCHEMBL14654387 0.85 CTSL (0.44) ALDH1A1GAAME3CTSLCTSB
SCHEMBL15106839 0.85 CTSL (0.44) ALDH1A1GAAME3CTSLCTSB
SCHEMBL377924 0.84 SMN1; SMN2 (0.53) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL13328300 0.84 ALDH1A1 (0.59) ALDH1A1GAATSHRKMT2ASMN1; SMN2
SCHEMBL3962996 0.84 SMN1; SMN2 (0.56) ALDH1A1GAAME3TSHRMEN1
SCHEMBL7324645 0.82 BCHE (0.56) ALDH1A1GAATSHRSMN1; SMN2
SCHEMBL378108 0.82 MEN1 (0.50) ALDH1A1TSHRMEN1KMT2ASMN1; SMN2
SCHEMBL12193334 0.82 CTSL (0.53) ALDH1A1GAAME3CTSLCTSB
SCHEMBL381643 0.81 CKS1B (0.48) ALDH1A1TSHRMEN1KMT2ACNR1
SCHEMBL460556 0.81 ALDH1A1 (0.56) ALDH1A1GAAME3CTSLCTSB

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-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
CN-103080086-B Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2014-11-05 CN disclosed
US-8765750-B2 Piperazine compound having a PGDS inhibitory effect TAIHO PHARMACEUTICAL CO., LTD. (JP) 2014-07-01 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
US-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-12-06 US disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 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 (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-20120309760-A1 PIPERAZINE COMPOUND HAVING A PGDS INHIBITORY EFFECT GRIK5, GRK5, KCNJ5 ALDH1A1 1745/4885GAA 2719/4885ME3 1386/4885
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR ALDH1A1 157/4885GAA 2192/4885ME3 2983/4885

“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.