SCHEMBL2925554

SCHEMBL2925554

O=c1cc(N2CCN(Cc3cccc(F)c3)CC2)nc[nH]1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
HSD17B10 Q99714 1/20 0.58
DRD2 P14416 3/20 0.51
DRD4 P21917 3/20 0.51
DRD3 P35462 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALDH3A1 P30838 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL2926168 0.86 SMN1; SMN2 (0.50) ALDH1A1KMT2AMEN1HSD17B10DRD2
SCHEMBL2926987 0.86 SIGMAR1 (0.55) ALDH1A1KMT2AMEN1DRD2DRD4
SCHEMBL2924655 0.86 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1DRD2TSHR
SCHEMBL2918926 0.84 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1HSD17B10DRD4
SCHEMBL13809921 0.83 DRD2 (0.41) ALDH1A1KMT2AMEN1HSD17B10DRD2
SCHEMBL2926472 0.83 HTR1A (0.48) ALDH1A1DRD2DRD4FAAH
SCHEMBL2925534 0.82 MEN1 (0.56) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL2925180 0.81 PIK3CD (0.44) KMT2AMEN1DRD4KDM4E
SCHEMBL2924810 0.80 SIGMAR1 (0.51) SMN1; SMN2FAAH
SCHEMBL2926769 0.79 TRPC5 (0.43) ALDH1A1DRD2DRD4DRD3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP claimed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN claimed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP claimed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO claimed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
EP-2231619-B1 INHIBITORS OF STEAROYL-COA DESATURASE HOFFMANN LA ROCHE (CH) 2014-11-26 EP disclosed
CN-101896473-B Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2012-07-25 CN disclosed
CN-101896473-A Inhibitors of stearoyl-coa desaturase HOFFMANN LA ROCHE 2010-11-24 CN disclosed
EP-2231619-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. Hoffmann-La Roche AG (CH) 2010-09-29 EP disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652013-B2 Inhibitors of stearoyl-CoA desaturase HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
WO-2009074487-A1 INHIBITORS OF STEAROYL-COA DESATURASE F. HOFFMANN-LA ROCHE AG (CH) 2009-06-18 WO disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 US disclosed
US-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE GILLESPIE PAUL 2009-06-11 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-20090149466-A1 INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 ALDH1A1 503/4885KMT2A 2711/4885MEN1 4834/4885

“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.