SCHEMBL6079416

SCHEMBL6079416

COCC12CN(C(=O)OCc3ccccc3)CC(=O)N1CC1(CCN(Cc3ccccc3)CC1)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.45
TSHR P16473 3/20 0.41
CYP3A4 P08684 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
MAPK1 P28482 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM3 P20309 2/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4522977 0.91 CYP2D6 (0.47) CYP2D6TSHRCYP3A4ALDH1A1USP2
SCHEMBL6078260 0.88 MEN1 (0.39) MEN1KMT2ANPSR1MAPK1OPRD1
SCHEMBL6078819 0.85 F10 (0.42) CYP2D6TSHRCYP3A4MEN1KMT2A
SCHEMBL4519652 0.81 CYP2D6 (0.41) CYP2D6TSHRCYP3A4MEN1KMT2A
SCHEMBL6079536 0.79 CYP2D6 (0.42) CYP2D6TSHRCYP3A4MEN1KMT2A
SCHEMBL4515776 0.78 CYP2D6 (0.43) CYP2D6TSHRCYP3A4MEN1KMT2A
SCHEMBL4237209 0.78 CYP2D6 (0.41) CYP2D6TSHRCYP3A4ALDH1A1USP2
SCHEMBL4454901 0.78 CYP2D6 (0.42) CYP2D6TSHRCYP3A4ALDH1A1USP2
SCHEMBL4526398 0.76 CYP2D6 (0.48) CYP2D6TSHRCYP3A4ALDH1A1USP2
SCHEMBL6079510 0.74 CHRM4 (0.43) CYP2D6CYP3A4MEN1KMT2ANPSR1

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 CYP2D6 301/4885TSHR 2844/4885CYP3A4 166/4885
US-20030045520-A1 Tricyclic compound having spiro union F2, TFPI, F11 CYP2D6 627/4885TSHR 1480/4885CYP3A4 450/4885
US-20050148769-A1 Tricyclic compound having spiro union TFPI, F2, F12 CYP2D6 621/4885TSHR 1389/4885CYP3A4 410/4885

“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.