SCHEMBL4139878

SCHEMBL4139878

O=C(N[C@H]1CCCN(c2ccc(OC3CCCC3)cc2)C1)C12CC3CC(C1)C(O)C(C3)C2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
FFAR4 Q5NUL3 14/20 0.40
EGFR P00533 1/20 0.40
LCK P06239 1/20 0.40
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
ACACB O00763 3/20 0.39
SRD5A2 P31213 1/20 0.38

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
SCHEMBL4003108 1.00 SMN1; SMN2 (0.43) SMN1; SMN2FFAR4EGFRLCKJAK3
SCHEMBL4153662 0.99 SMN1; SMN2 (0.42) SMN1; SMN2FFAR4EGFRLCKJAK3
SCHEMBL4004158 0.99 SMN1; SMN2 (0.42) SMN1; SMN2FFAR4EGFRLCKJAK3
SCHEMBL4002391 0.92 SRD5A2 (0.43) SMN1; SMN2FFAR4ACACBSRD5A2
SCHEMBL4147516 0.91 EPHX1 (0.46) SMN1; SMN2FFAR4EGFRLCKJAK3
SCHEMBL5950696 0.91 ALDH1A1 (0.40) SMN1; SMN2BTKACACBSRD5A2
SCHEMBL4009711 0.91 SRD5A2 (0.40) SMN1; SMN2FFAR4EGFRLCKJAK3
SCHEMBL5950727 0.88 GPR119 (0.42) LCKJAK3SRD5A2
SCHEMBL5950205 0.86 ACACB (0.39) ACACB
SCHEMBL4149415 0.86 EPHX1 (0.43) BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101080226-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-11-28 CN claimed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US claimed
EP-1778229-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-06-17 EP disclosed
CN-101080226-A Amido compounds and their use as pharmaceuticals INCYTE CORP (US) 2007-11-28 CN disclosed
EP-1778229-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-05-02 EP disclosed
US-20060122197-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2006-06-08 US disclosed
WO-2006020598-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-23 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-20060122197-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 SMN1; SMN2 3627/4885FFAR4 1444/4885EGFR 3169/4885

“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.