SCHEMBL3849954

SCHEMBL3849954

Oc1ccc(N2CCCCC2)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.54
S1PR1 P21453 2/20 0.45
S100B P04271 1/20 0.42
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL6003451 0.87 NOTUM (0.42) NOTUMS1PR1S100B
SCHEMBL24309870 0.83 ASIC3 (0.52) NOTUMPDE3BPDE3AHSD11B1
Hydrochloric Acid SCHEMBL29813270 0.79 ALDH1A1 (0.60) NOTUMS1PR1HSD11B1
SCHEMBL30336413 0.79 ALDH1A1 (0.59) NOTUMS100B
SCHEMBL13419179 0.79 NOTUM (0.50) NOTUMS1PR1PDE3BPDE3AHSD11B1
SCHEMBL25194643 0.79 ALDH1A1 (0.59) NOTUMS100B
SCHEMBL249224 0.79 NOTUM (0.50) NOTUMS1PR1PDE3BPDE3A
SCHEMBL1929368 0.79 ALDH1A1 (0.59) NOTUMS100B
SCHEMBL12648860 0.79 NOTUM (0.47) NOTUMS1PR1PDE3BPDE3AHSD11B1
SCHEMBL10088914 0.79 NOTUM (0.47) NOTUMS1PR1

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
CN-1921863-B Immunosuppressant compounds and compositions IRM LLC 2013-04-03 CN disclosed
US-7572811-B2 Immunosuppressant compounds and compositions IRM LLC (BM) 2009-08-11 US disclosed
EP-1718307-A4 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2009-04-29 EP disclosed
US-20070203100-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2007-08-30 US disclosed
EP-1718307-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM, LLC (BM) 2006-11-08 EP disclosed
WO-2005082089-A2 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2005-09-09 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-20070203100-A1 Immunosuppressant Compounds and Compositions ICOS, EDNRA, NFATC1 NOTUM 3843/4885S1PR1 133/4885S100B 2367/4885

“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.