SCHEMBL20205261

SCHEMBL20205261

O=C1N(c2ccc(F)cc2Cl)CCC12CCCCC2

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 14/20 0.45
HRH3 Q9Y5N1 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 1/20 0.39
DOCK5 Q9H7D0 1/20 0.38
HTR1A P08908 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL20103153 0.94 P2RX7 (0.45) P2RX7GAAMEN1CASP6KMT2A
SCHEMBL18208494 0.88 P2RX7 (0.45) P2RX7HRH3GAAMEN1CASP6
SCHEMBL18208520 0.85 P2RX7 (0.44) P2RX7HRH3DOCK5
SCHEMBL18208519 0.85 P2RX7 (0.44) P2RX7HRH3DOCK5
SCHEMBL18208191 0.85 P2RX7 (0.44) P2RX7HRH3
SCHEMBL18208710 0.83 P2RX7 (0.42) P2RX7HRH3
SCHEMBL18208556 0.83 P2RX7 (0.42) P2RX7HRH3
SCHEMBL18208621 0.83 NPC1 (0.49) P2RX7GAAMEN1CASP6KMT2A
SCHEMBL20103479 0.80 HSD11B1 (0.51) HTR1AADRA1AADRA1BALDH1A1
SCHEMBL18208871 0.79 KMT2A (0.44) P2RX7HRH3GAAMEN1CASP6

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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 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-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES C1R, C9, C1S P2RX7 1358/4885HRH3 94/4885GAA 1029/4885

“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.