SCHEMBL1104645

SCHEMBL1104645

C=C1CCc2cc(C)cnc2N1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.33
CCR1 P32246 1/20 0.31
CCR5 P51681 1/20 0.31
CCR8 P51685 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30

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
SCHEMBL6368447 0.79 CRBN (0.51) CRBN
SCHEMBL19421518 0.78 CRBN (0.32) CRBN
SCHEMBL24722682 0.72 CRBN (0.43) CRBN
SCHEMBL828125 0.72 NNMT (0.53) CCR1CCR5CCR8NOS3NOS1
SCHEMBL12071345 0.71 NNMT (0.33) DRD2DRD1
Hydrochloric Acid SCHEMBL19695152 0.70 NNMT (0.51) CCR1CCR5CCR8NOS3NOS1
SCHEMBL18068308 0.69 NNMT (0.55) CCR1CCR5CCR8NOS3NOS1
SCHEMBL728499 0.69 ABL1 (0.58) CRBN
SCHEMBL24723535 0.68 SMYD3 (0.36) CRBNDRD2DRD1
SCHEMBL12306493 0.68 CCR1 (0.39) CCR1CCR5CCR8NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846711-B2 Heterocyclic acrylamides and their use as pharmaceuticals FAB PHARMA S.A.S. (FR) 2014-09-30 US disclosed
US-8173646-B2 FAB I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-05-08 US disclosed
US-8153652-B2 Fab I inhibitors AFFINIUM PHARMACEUTICALS, INC. (CA) 2012-04-10 US disclosed
US-20110190283-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-08-04 US disclosed
US-20110098277-A1 Fab I Inhibitors DEBIOPHARM INTERNATIONAL SA (CH) 2011-04-28 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 (2 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-20110098277-A1 Fab I Inhibitors SERPINB1, TMBIM6, GDI2 CRBN 3456/4885CCR1 3119/4885CCR5 2537/4885
US-20110190283-A1 Fab I Inhibitors SERPINB1, TFPI, TFPI2 CRBN 3410/4885CCR1 2814/4885CCR5 2809/4885

“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.