SCHEMBL6079546

SCHEMBL6079546

O=C(OCc1ccccc1)N1CC(=O)N2CC3(CCNCC3)NC2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HTR2C P28335 1/20 0.41
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TACR1 P25103 1/20 0.38
RORC P51449 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ENPP2 Q13822 3/20 0.38
ATXN2 Q99700 3/20 0.38
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KDM1A O60341 1/20 0.37
GLA P06280 1/20 0.36

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
SCHEMBL6079510 0.87 CHRM4 (0.43) SMN1; SMN2NPC1RAB9AGAAMAPK1
SCHEMBL6078789 0.83 ITGB3 (0.45) SMN1; SMN2NPC1RAB9AHTR2CMAPK1
SCHEMBL6078385 0.80 MEN1 (0.41) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL26090713 0.74 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL7711512 0.74 ENPP2 (0.54) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL6078260 0.73 MEN1 (0.39) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL14249585 0.71 ENPP2 (0.56) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL30283170 0.70 HTR2C (0.52) SMN1; SMN2NPC1RAB9AHTR2CGAA
SCHEMBL30484110 0.70 MEN1 (0.57) SMN1; SMN2NPC1RAB9AMAPK1CYP2C19
Hydrochloric Acid SCHEMBL14249583 0.70 ENPP2 (0.55) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19

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
US-7122662-B2 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2006-10-17 US disclosed
US-20050148769-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. 2005-07-07 US disclosed
US-6858599-B2 Inhibitor for activated blood coagulation factor X MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2005-02-22 US disclosed
US-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1346994-A1 CHOLESTEROL BIOSYNTHESIS INHIBITORS CONTAINING AS THE ACTIVE INGREDIENT TRICYCLIC SPIRO COMPOUNDS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
US-20030045520-A1 Tricyclic compound having spiro union MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 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-20040063716-A1 Cholesterol biosynthesis inhibitors containing as the active ingredient tricyclic spiro compounds VKORC1, CYP46A1, TFPI SMN1; SMN2 4813/4885NPC1 69/4885RAB9A 1290/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 SMN1; SMN2 4621/4885NPC1 2141/4885RAB9A 1281/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 SMN1; SMN2 4701/4885NPC1 2748/4885RAB9A 1308/4885

“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.