SCHEMBL6078352

SCHEMBL6078352

CCO[C@@H](C(=O)NCc1ccc(C#N)cc1O)N1Cc2c(C)cccc2C1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 1/20 0.34
SDC2 P34741 1/20 0.34
DRD2 P14416 6/20 0.33
DRD3 P35462 6/20 0.33
DRD4 P21917 4/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
P2RX7 Q99572 1/20 0.33
DGAT2 Q96PD7 1/20 0.32
DRD1 P21728 2/20 0.32
DRD5 P21918 2/20 0.32
SETDB1 Q15047 1/20 0.32
TNF P01375 1/20 0.31
LMNA P02545 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
FFAR1 O14842 1/20 0.31

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
SCHEMBL6078343 1.00 SDCBP (0.34) SDCBPSDC2DRD2DRD3DRD4
SCHEMBL6078094 0.91 GABRA1 (0.34) SDCBPSDC2DRD2DRD3DRD4
SCHEMBL6078103 0.91 GABRA1 (0.34) SDCBPSDC2DRD2DRD3DRD4
SCHEMBL6078733 0.88 PDCD1 (0.33) SDCBPSDC2GABRA1GABRG2GABRB3
SCHEMBL6078742 0.88 PDCD1 (0.33) SDCBPSDC2GABRA1GABRG2GABRB3
SCHEMBL6077622 0.87 F10 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6030782 0.87 F10 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6078161 0.86 SLC1A2 (0.35) SDCBPSDC2LMNAVHL
SCHEMBL6078168 0.86 SLC1A2 (0.35) SDCBPSDC2LMNAVHL
SCHEMBL6079105 0.81 LMNA (0.40) SDCBPSDC2DRD2DRD3DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 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 (1 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 SDCBP 4822/4885SDC2 2144/4885DRD2 4496/4885

“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.