SCHEMBL18208641

SCHEMBL18208641

O=C(N[C@H]1CC[C@@]2(CCN(c3ccc(F)cc3Cl)C2=O)CC1)c1cnc2cccnn12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 3/20 0.41
HSD11B1 P28845 1/20 0.41
PDE4B Q07343 13/20 0.41
PDE4D Q08499 10/20 0.41
PDE4C Q08493 8/20 0.41
PDE4A P27815 7/20 0.41
CRHR1 P34998 1/20 0.38
CRHR2 Q13324 1/20 0.38
HPGD P15428 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.36

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
SCHEMBL18208638 1.00 NTRK1 (0.41) NTRK1HSD11B1PDE4BPDE4DPDE4C
SCHEMBL18208726 0.95 NTRK1 (0.42) NTRK1HSD11B1PDE4BPDE4DPDE4C
SCHEMBL18208727 0.95 NTRK1 (0.42) NTRK1HSD11B1PDE4BPDE4DPDE4C
SCHEMBL18209069 0.91 PDE4B (0.45) NTRK1HSD11B1PDE4BPDE4DPDE4C
SCHEMBL18209067 0.91 PDE4B (0.45) NTRK1HSD11B1PDE4BPDE4DPDE4C
SCHEMBL18208672 0.89 HSD11B1 (0.44) HSD11B1PDE4BPDE4DPDE4CPDE4A
SCHEMBL18208670 0.89 HSD11B1 (0.44) HSD11B1PDE4BPDE4DPDE4CPDE4A
SCHEMBL18208952 0.88 PDE4B (0.46) NTRK1HSD11B1PDE4BPDE4DPDE4C
SCHEMBL18208954 0.88 PDE4B (0.46) NTRK1HSD11B1PDE4BPDE4DPDE4C
SCHEMBL18208192 0.88 PDE4B (0.43) NTRK1HSD11B1PDE4BPDE4DPDE4C

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 7 patents. 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 claimed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US disclosed
US-20180148418-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 US disclosed
EP-3292107-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES Bayer Pharma Aktiengesellschaft (DE) 2018-03-14 EP disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 WO disclosed
WO-2016177658-A1 AMIDO-SUBSTITUTED CYCLOHEXANE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-10 WO 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 NTRK1 3217/4885HSD11B1 1812/4885PDE4B 3247/4885

“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.