SCHEMBL6079510

SCHEMBL6079510

O=C(OCc1ccccc1)N1CC(=O)N2CC3(CCN(Cc4ccccc4)CC3)NC2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
CYP2D6 P10635 3/20 0.41
MAPK1 P28482 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
CYP2C19 P33261 1/20 0.40
CHRM2 P08172 4/20 0.40
CHRM3 P20309 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CXCR3 P49682 1/20 0.40
GAA P10253 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
SCHEMBL6079546 0.87 SMN1; SMN2 (0.41) SMN1; SMN2NPC1RAB9AMAPK1OPRD1
SCHEMBL6078789 0.84 ITGB3 (0.45) SMN1; SMN2NPC1RAB9ACYP2D6MAPK1
SCHEMBL6078572 0.80 MGLL (0.43) CHRM4SMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL6079416 0.74 CYP2D6 (0.45) SMN1; SMN2NPC1RAB9ACYP2D6MAPK1
SCHEMBL26090713 0.70 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9ACYP2D6MAPK1
SCHEMBL6078385 0.70 MEN1 (0.41) SMN1; SMN2NPC1RAB9AMAPK1ALDH1A1
SCHEMBL6078660 0.70 MEN1 (0.43) CHRM4SMN1; SMN2NPC1RAB9ACYP2D6
SCHEMBL6079058 0.70 MGLL (0.42) SMN1; SMN2NPC1RAB9ACYP2D6MAPK1
SCHEMBL21041191 0.70 SMN1; SMN2 (0.52) CHRM4SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL1666825 0.70 MEN1 (0.53) SMN1; SMN2NPC1RAB9ACYP2D6CYP2C19

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 CHRM4 4750/4885SMN1; SMN2 4813/4885NPC1 69/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 CHRM4 4699/4885SMN1; SMN2 4621/4885NPC1 2141/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 CHRM4 4736/4885SMN1; SMN2 4701/4885NPC1 2748/4885

“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.