SCHEMBL6078460

SCHEMBL6078460

O=C1CNCC2(CO)OC3(CCN(Cc4ccccc4)CC3)CN12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.46
OPRM1 P35372 2/20 0.46
TSHR P16473 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HIF1A Q16665 1/20 0.41
DRD2 P14416 2/20 0.40
OPRL1 P41146 2/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
CYP2D6 P10635 3/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL4515626 0.87 SIGMAR1 (0.43) SIGMAR1OPRM1TSHRALDH1A1CYP2C9
SCHEMBL4529590 0.87 SIGMAR1 (0.43) SIGMAR1OPRM1TSHRALDH1A1CYP2C9
SCHEMBL4530621 0.79 SIGMAR1 (0.38) SIGMAR1OPRM1CYP2C9CYP2C19MEN1
SCHEMBL6078660 0.75 MEN1 (0.43) SIGMAR1OPRM1ALDH1A1CYP2C9CYP2C19
SCHEMBL4534459 0.73 SIGMAR1 (0.44) SIGMAR1OPRM1TSHRALDH1A1CYP2C19
SCHEMBL4532180 0.71 SIGMAR1 (0.42) SIGMAR1OPRM1TSHRALDH1A1DRD2
SCHEMBL4527683 0.71 SIGMAR1 (0.42) SIGMAR1OPRM1TSHRALDH1A1CYP2C9
SCHEMBL4520059 0.71 CYP2D6 (0.45) SIGMAR1OPRM1TSHRALDH1A1CYP2C9
SCHEMBL6078782 0.68 SIGMAR1 (0.48) SIGMAR1OPRM1TSHRALDH1A1CYP2C9
SCHEMBL2604320 0.68 TSHR (0.75) SIGMAR1OPRM1TSHRALDH1A1CYP2C9

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 7 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
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 SIGMAR1 2556/4885OPRM1 4006/4885TSHR 2844/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 SIGMAR1 3298/4885OPRM1 3195/4885TSHR 1480/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 SIGMAR1 3914/4885OPRM1 3525/4885TSHR 1389/4885

“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.