SCHEMBL3200673

SCHEMBL3200673

C[C@H]1CN(c2cc(C3CCCC3)nc(N)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.53
HRH4 Q9H3N8 17/20 0.53
HRH3 Q9Y5N1 1/20 0.47
HDAC1 Q13547 1/20 0.47
SUV39H2 Q9H5I1 1/20 0.41

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
SCHEMBL3195553 1.00 MAP4K4 (0.53) MAP4K4HRH4HRH3HDAC1SUV39H2
SCHEMBL3209109 0.99 MAP4K4 (0.52) MAP4K4HRH4HRH3HDAC1SUV39H2
SCHEMBL3998971 0.85 HRH4 (0.59) HRH4HRH3
SCHEMBL3996125 0.85 HRH4 (0.59) HRH4HRH3
SCHEMBL3195770 0.84 MAP4K4 (0.52) MAP4K4HRH4HDAC1SUV39H2
SCHEMBL3197606 0.84 HRH4 (0.61) MAP4K4HRH4HRH3
SCHEMBL3211110 0.82 HRH4 (0.54) HRH4HRH3
SCHEMBL3190194 0.80 HRH4 (0.61) HRH4HRH3
SCHEMBL3203004 0.79 SMARCA2 (0.49) HRH4HRH3
SCHEMBL3197458 0.79 SMARCA2 (0.49) HRH4HRH3

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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions UCB PHARMA, S.A. (BE) 2010-02-11 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-20100035863-A1 2 Amino-Pyrimidine Derivatives As H4 Receptor Antagonists, Processes For Preparing Them And Their Use In Pharmaceutical Compositions HRH4, HRH2, HRH3 MAP4K4 2924/4885HRH4 1/4885HRH3 3/4885

“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.