SCHEMBL6359928

SCHEMBL6359928

O=C(O)N[C@H]1CCN(c2ccc3c(c2)CCC3)C1=O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CYP17A1 P05093 1/20 0.43
FPR2 P25090 3/20 0.43
FPR1 P21462 2/20 0.43
F10 P00742 8/20 0.43
HDAC6 Q9UBN7 4/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
ALDH1A1 P00352 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
SCHEMBL891655 0.80 TSHR (0.47) TSHRCYP17A1F10ALDH1A1
SCHEMBL28753705 0.79 NPC1 (0.44) TSHRCYP17A1FPR2FPR1F10
SCHEMBL5440338 0.78 F10 (0.58) FPR2FPR1F10HDAC6HDAC1
SCHEMBL8514563 0.78 FPR2 (0.64) FPR2FPR1HDAC6HDAC1HDAC8
SCHEMBL16468268 0.77 FPR2 (0.67) FPR2FPR1HDAC6HDAC1HDAC8
SCHEMBL5219240 0.77 FPR2 (0.64) FPR2FPR1HDAC6HDAC1HDAC8
SCHEMBL19471942 0.76 HDAC1 (0.61) FPR2FPR1HDAC6HDAC1HDAC8
SCHEMBL19471943 0.76 HDAC1 (0.61) FPR2FPR1HDAC6HDAC1HDAC8
SCHEMBL5185610 0.76 F10 (0.42) FPR2FPR1F10HDAC6HDAC1
SCHEMBL14372323 0.75 TSHR (0.50) TSHRCYP17A1F10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors GLAXO GROUP LIMITED (GB) 2005-03-17 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-20050059726-A1 Pyrrolidine-2-ones as factor xa inhibitors TFPI, F2, SERPINC1 TSHR 2187/4885CYP17A1 1651/4885FPR2 371/4885

“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.