SCHEMBL17799112

SCHEMBL17799112

O=C(N1CCC1)C1(c2ccc(Cl)nc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.61
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL17804163 0.97 HSD11B1 (0.66) HSD11B1ALDH1A1MEN1KMT2ALMNA
SCHEMBL17799098 0.83 HSD11B1 (0.44) HSD11B1ALDH1A1
SCHEMBL17799100 0.81 HSD11B1 (0.50) HSD11B1
SCHEMBL17799093 0.81 HSD11B1 (0.50) HSD11B1
SCHEMBL349552 0.78 NAPRT (0.47) MEN1KMT2ATSHR
SCHEMBL31247665 0.78 NAPRT (0.47) MEN1KMT2ATSHR
SCHEMBL9966553 0.76 IDO1 (0.44) HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL348724 0.76 HSD11B1 (1.00) HSD11B1ALDH1A1MEN1KMT2A
SCHEMBL3679512 0.76 NAPRT (0.42) HSD11B1ALDH1A1LMNA
SCHEMBL17799104 0.76 IDO1 (0.42) HSD11B1ALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 EP 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-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA HSD11B1 2254/4885ALDH1A1 4734/4885MEN1 1167/4885

“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.