SCHEMBL895978

SCHEMBL895978

COCNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.77
SMN1; SMN2 Q16637 3/20 0.74
NPC1 O15118 2/20 0.74
RAB9A P51151 2/20 0.74
CYP2C19 P33261 1/20 0.64
ENPP2 Q13822 2/20 0.58
NPSR1 Q6W5P4 3/20 0.52
GRIN2B Q13224 5/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C9 P11712 3/20 0.51
MAPT P10636 1/20 0.51
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
CYP3A4 P08684 2/20 0.48

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
SCHEMBL6473595 0.93 HTT (0.67) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL11394508 0.88 HTT (0.74) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5141182 0.88 HTT (0.60) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL14313090 0.86 HTT (0.59) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5115243 0.86 HTT (0.59) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL5077234 0.86 HTT (0.59) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL29101231 0.85 SMN1; SMN2 (0.74) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL23243031 0.85 SMN1; SMN2 (0.73) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL3533651 0.85 SMN1; SMN2 (0.77) HTTSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL2712060 0.85 SMN1; SMN2 (0.77) HTTSMN1; SMN2NPC1RAB9ACYP2C19

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-2560978-B1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS INC (US) 2019-01-30 EP disclosed
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2018-09-06 US disclosed
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2017-06-29 US disclosed
US-9040703-B2 Inhibitors of arginase and their therapeutic applications MARS, INCORPORATED (US) 2015-05-26 US disclosed
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS MARS, INCORPORATED 2012-04-05 US disclosed
US-20040254178-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2004-12-16 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 (4 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-20040254178-A1 Substituted heterocyclic compounds and methods of use MYLK2, MAPT, MUSK HTT 852/4885SMN1; SMN2 9/4885NPC1 2806/4885
US-20180251479-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 HTT 4239/4885SMN1; SMN2 3556/4885NPC1 2297/4885
US-20170183362-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 HTT 4239/4885SMN1; SMN2 3556/4885NPC1 2297/4885
US-20120083469-A1 INHIBITORS OF ARGINASE AND THEIR THERAPEUTIC APPLICATIONS ARG1, ARG2, PRMT9 HTT 4239/4885SMN1; SMN2 3556/4885NPC1 2297/4885

“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.