Morpholine

Morpholine

SCHEMBL4743469

C1COCCN1.CCCn1c(SCc2cc(C)cc(C)c2)nc2ccc(Br)cc2c1=O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP1 P29466 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP7 P55210 1/20 0.40
KDM1A O60341 1/20 0.40
IDO1 P14902 1/20 0.40
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL4743465 0.83 ALDH1A1 (0.56) LMNAALDH1A1KDM4EHPGDCYP1A2
SCHEMBL14093129 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDCYP1A2CYP3A4
SCHEMBL14093107 0.78 LMNA (0.48) LMNAALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL14093106 0.78 ALDH1A1 (0.46) ALDH1A1CYP3A4HTTMEN1KMT2A
SCHEMBL7984370 0.75 TDP1 (0.51) CACNA2D1LMNAALDH1A1HTTHSD17B10
SCHEMBL7887739 0.73 PDE7A (0.53) CACNA2D1ALDH1A1CA12CA1CA2
SCHEMBL12963478 0.69 MEN1 (0.52) CACNA2D1ALDH1A1KDM4EHPGDMEN1
SCHEMBL14103480 0.67 LMNA (0.48) LMNAALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL14103484 0.67 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL31241088 0.66 CACNA2D1 (0.48) CACNA2D1ALDH1A1MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008103354-A2 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. (US) 2008-08-28 WO disclosed
US-20080200461-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF CROPSOLUTION, INC. 2008-08-21 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 (1 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-20080200461-A1 MODULATORS OF ACETYL-COENZYME A CARBOXYLASE AND METHODS OF USE THEREOF ACACA, ACAT1, ACACB CACNA2D1 4200/4885LMNA 2455/4885ALDH1A1 702/4885

“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.