Morpholine

Morpholine

SCHEMBL27719

C1COCCN1.CCC1CCCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.47
ADRB1 P08588 1/20 0.47
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 5/20 0.43
MAPK1 P28482 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.39
AKR1C3 P42330 1/20 0.39
KCNJ1 P48048 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL6714741 0.88 ALDH1A1 (0.53) SIRT6ALDH1A1LMNAKMT2AMEN1
SCHEMBL13292851 0.84 KMT2A (0.50) SIRT6ALDH1A1LMNAKMT2AMEN1
Morpholine SCHEMBL27014 0.82 MAPT (0.36) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6605777 0.82 ALDH1A1 (0.48) ALDH1A1LMNAKMT2AMEN1MAPT
SCHEMBL3136982 0.78 CUL4A (0.51) SIRT6ADRB1ALDH1A1LMNAMAPT
SCHEMBL223024 0.74 MAPT (0.47) SIRT6ADRB1ALDH1A1MAPTMAPK1
SCHEMBL6095682 0.74 MAPT (0.47) SIRT6ADRB1ALDH1A1LMNAKMT2A
SCHEMBL1092846 0.74 MAPT (0.47) SIRT6ADRB1ALDH1A1MAPTMAPK1
SCHEMBL5653005 0.74 MAPT (0.47) SIRT6ADRB1ALDH1A1MAPTMAPK1
Morpholine SCHEMBL27814446 0.73 ADRB1 (0.59) SIRT6ADRB1ALDH1A1LMNAKMT2A

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 6 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-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
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 (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-20140128394-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGDR, PTGS1, PTGDR2 SIRT6 863/4885ADRB1 368/4885ALDH1A1 360/4885
US-20110319413-A1 PIPERAZINE COMPOUND CAPABLE OF INHIBITING PROSTAGLANDIN D SYNTHASE PTGS1, PTGDR, PTGIS SIRT6 1129/4885ADRB1 525/4885ALDH1A1 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.