SCHEMBL1476970

SCHEMBL1476970

O=C(O)C1C2COc3ccc(F)cc3C21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 1/20 0.44
HCRTR2 O43614 1/20 0.42
AKR1B1 P15121 2/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
CYP19A1 P11511 1/20 0.39
TFPI2 P48307 1/20 0.36
KIF11 P52732 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NOTUM Q6P988 1/20 0.34
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL1476967 1.00 GRM7 (0.44) GRM7HCRTR2AKR1B1DRD2DRD3
SCHEMBL1476969 1.00 GRM7 (0.44) GRM7HCRTR2AKR1B1DRD2DRD3
SCHEMBL30280553 1.00 GRM7 (0.44) GRM7HCRTR2AKR1B1DRD2DRD3
SCHEMBL12749289 1.00 GRM7 (0.44) GRM7HCRTR2AKR1B1DRD2DRD3
SCHEMBL10897784 0.81 GRM7 (0.47) GRM7HCRTR2AKR1B1DRD2DRD3
SCHEMBL1478395 0.80 L3MBTL1 (0.40) GRM7HCRTR2AKR1B1ALDH1A1
SCHEMBL1478400 0.80 L3MBTL1 (0.40) GRM7HCRTR2AKR1B1ALDH1A1
SCHEMBL1478396 0.80 L3MBTL1 (0.40) GRM7HCRTR2AKR1B1ALDH1A1
SCHEMBL12749279 0.80 L3MBTL1 (0.40) GRM7HCRTR2AKR1B1ALDH1A1
SCHEMBL13591299 0.79 GRM7 (0.41) GRM7HCRTR2AKR1B1DRD2DRD3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373261-B1 CYCLOPROPAHETEROCYCLES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2011-05-04 EP disclosed
US-7915295-B2 Viricides; HIV antivirals effective against problematic drug escape mutants; N-[(1S,1aR,7bR)-4,7-difluoro-1,1a,2,7b-tetrahydrocyclopropa[c]chromen-1-yl]-N'-[5-(4-(sulfonamido)phenoxy)-2-pyridinyl]urea MEDIVIR AB (SE) 2011-03-29 US disclosed
EP-1701942-B1 NON-NUCLEOTIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2009-12-09 EP disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-7405310-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2008-07-29 US disclosed
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors MEDIVIR AB (SE) 2008-03-20 US disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
US-20050240035-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-10-27 US disclosed
US-6894177-B2 Intermediate compounds of non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2005-05-17 US disclosed
US-6716850-B2 ESPECIALLY N-(NITROGEN HETEROAR-2-YL)-SUBSTITUTED TETRAHYDROCYCLOPROPA(C)CHROMEN-1-UREAS AND THIOUREAS; TREATING HIV-1, PARTICULARLY A DRUG ESCAPE MUTANT. MEDIVIR AB (SE) 2004-04-06 US disclosed
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2003-04-10 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 (5 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-20050240035-A1 Non-nucleoside reverse transcriptase inhibitors SAMHD1, TYMP, PNP GRM7 4111/4885HCRTR2 3874/4885AKR1B1 524/4885
US-20030069224-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 GRM7 3404/4885HCRTR2 856/4885AKR1B1 1173/4885
US-20030187266-A1 Non-nucleoside reverse transcriptase inhibitors SUB1, NAT10, NSUN2 GRM7 3404/4885HCRTR2 856/4885AKR1B1 1173/4885
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E GRM7 3084/4885HCRTR2 377/4885AKR1B1 1681/4885
US-20080070951-A1 Non-Nucleotide Reverse Transcriptase Inhibitors RCOR1, RRM2, POLR1A GRM7 2330/4885HCRTR2 355/4885AKR1B1 710/4885

“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.