SCHEMBL4088718

SCHEMBL4088718

O=C1CCC[C@@H]2CC[C@@H](c3ccc(F)c(F)c3)N12

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.38
RIPK1 Q13546 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
PGR P06401 2/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL2581234 0.96 ALDH1A1 (0.39) P2RX7RIPK1MEN1KMT2AALDH1A1
SCHEMBL2587657 0.96 ALDH1A1 (0.39) P2RX7RIPK1MEN1KMT2AALDH1A1
SCHEMBL4521177 0.94 P2RX7 (0.39) P2RX7RIPK1MEN1KMT2AALDH1A1
SCHEMBL4521180 0.94 P2RX7 (0.39) P2RX7RIPK1MEN1KMT2AALDH1A1
SCHEMBL2583972 0.94 P2RX7 (0.39) P2RX7RIPK1MEN1KMT2AALDH1A1
SCHEMBL2581567 0.89 P2RX7 (0.41) P2RX7RIPK1MEN1KMT2AALDH1A1
SCHEMBL2577904 0.85 P2RX7 (0.33) P2RX7MEN1KMT2AALDH1A1TSHR
SCHEMBL4513877 0.85 L3MBTL1 (0.34) P2RX7RIPK1MEN1KMT2AALDH1A1
SCHEMBL2586430 0.84 RIPK1 (0.34) P2RX7RIPK1MEN1KMT2AALDH1A1
SCHEMBL2581032 0.82 RIPK1 (0.48) P2RX7RIPK1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-13 US disclosed
EP-2019094-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2009-01-28 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-20090203697-A1 HETEROCYCLIC TYPE CINNAMIDE DERIVATIVE CLIC4, NR3C2, MAN2B1 P2RX7 2211/4885RIPK1 4835/4885MEN1 498/4885

“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.