SCHEMBL871936

SCHEMBL871936

O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCN(C(=O)O)C(Cc6ccccc6)C5)cc4Br)c3)c2=O)CC1)c1cn2cc(F)ccc2n1.O=C(N[C@H]1CC[C@@H](n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(CN5CCNCC5)cc4Br)c3)c2=O)CC1)c1cn2cc(F)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.40
UTS2R Q9UKP6 5/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PRKAA2 P54646 3/20 0.31
ACKR3 P25106 1/20 0.31
CCR3 P51677 1/20 0.31

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
SCHEMBL869881 0.97 PDE4B (0.41) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL869879 0.97 PDE4B (0.41) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL872079 0.92 PDE4B (0.44) PDE4BUTS2RKDM4ESMN1; SMN2HSD17B10
SCHEMBL872080 0.92 PDE4B (0.44) PDE4BUTS2RKDM4ESMN1; SMN2HSD17B10
SCHEMBL871827 0.87 PDE4B (0.46) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL871826 0.87 PDE4B (0.46) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL869880 0.85 PDE4B (0.42) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL524053 0.84 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL870077 0.84 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2
SCHEMBL524054 0.84 PDE4B (0.52) PDE4BKDM4ESMN1; SMN2HSD17B10PRKAA2

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-20120077801-A1 Chemical Compounds 637 ALCON RESEARCH, LTD. 2012-03-29 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-20120077801-A1 Chemical Compounds 637 PDE4A, PDE4B, PDE3B PDE4B 2/4885UTS2R 1925/4885KDM4E 1494/4885

“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.