SCHEMBL6078385

SCHEMBL6078385

O=C(OCc1ccccc1)N1CC(=O)N2CC3(CCNCC3)OC2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HTR2C P28335 1/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
ENPP2 Q13822 3/20 0.39
ATXN2 Q99700 3/20 0.39
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP19 O94966 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM1A O60341 1/20 0.36
GLA P06280 1/20 0.35

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
SCHEMBL6078572 0.87 MGLL (0.43) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6079188 0.83 ITGB3 (0.44) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7262998 0.80 TGM2 (0.42) ENPP2ATXN2
SCHEMBL6079546 0.80 SMN1; SMN2 (0.41) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7257427 0.79 GRIN2B (0.37) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL7257549 0.78 TSHR (0.43) MEN1KMT2AGAACYP2C19ALDH1A1
SCHEMBL1666825 0.75 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL6079116 0.74 MEN1 (0.42) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL26090713 0.73 SMN1; SMN2 (0.47) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13395027 0.73 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 8 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
EP-1191028-B1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARM CO LTD (JP) 2004-11-03 EP 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
EP-1191028-A1 TRICYCLIC COMPOUNDS HAVING SPIRO UNION MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-03-27 EP 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 MEN1 1423/4885KMT2A 2943/4885NPSR1 2510/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 MEN1 631/4885KMT2A 3390/4885NPSR1 2064/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 MEN1 699/4885KMT2A 3342/4885NPSR1 2197/4885

“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.