SCHEMBL3849952

SCHEMBL3849952

CCc1ccc(F)cc1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.35
IDO1 P14902 4/20 0.35
AGXT P21549 2/20 0.35
RIPK1 Q13546 3/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TRPA1 O75762 1/20 0.33
P2RY1 P47900 1/20 0.33
PREP P48147 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL2882184 0.87 IDO1 (0.35) DRD2IDO1AGXTCA12CA1
SCHEMBL17786198 0.86 IDO1 (0.34) DRD2IDO1AGXTRIPK1CA12
SCHEMBL1056366 0.81 ALOX5AP (0.36) IDO1AGXTCA12CA1CA9
SCHEMBL7660498 0.81 KMT2A (0.39) DRD2CA12CA1CA9PREP
SCHEMBL9853837 0.80 L3MBTL1 (0.44) DRD2IDO1RIPK1KDM4EPREP
SCHEMBL14573872 0.78 FFAR1 (0.38) DRD2CA12CA1CA9PREP
SCHEMBL1178457 0.77 DRD2 (0.38) DRD2KDM4EALOX5APFEN1HTR2A
SCHEMBL17337274 0.77 DRD2 (0.44) DRD2KDM4ETRPA1HTR2A
SCHEMBL6902425 0.76 PTPN1 (0.38) CA12CA1CA9KDM4EALOX5AP
SCHEMBL24455885 0.76 TAAR1 (0.33) DRD2CA12CA1CA9TRPA1

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-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 US disclosed
WO-2006062972-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-15 WO 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-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 DRD2 4418/4885IDO1 3538/4885AGXT 192/4885

“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.