SCHEMBL3197458

SCHEMBL3197458

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cc(C2CCCCC2)nc(N)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
PBRM1 Q86U86 1/20 0.49
ABCB1 P08183 1/20 0.45
HRH4 Q9H3N8 13/20 0.44
GPR119 Q8TDV5 4/20 0.42
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40

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
SCHEMBL3203004 1.00 SMARCA2 (0.49) SMARCA2SMARCA4PBRM1ABCB1HRH4
SCHEMBL3998706 0.86 HRH4 (0.49) HRH4HRH3
SCHEMBL3197606 0.83 HRH4 (0.61) SMARCA2SMARCA4PBRM1HRH4GPR119
SCHEMBL3190194 0.81 HRH4 (0.61) HRH4HRH3
SCHEMBL3209109 0.80 MAP4K4 (0.52) HRH4HRH3
SCHEMBL3195553 0.79 MAP4K4 (0.53) HRH4HRH3
SCHEMBL3200673 0.79 MAP4K4 (0.53) HRH4HRH3
SCHEMBL3200455 0.78 HRH4 (0.64) HRH4HRH3
SCHEMBL3211051 0.78 HRH4 (0.64) HRH4HRH3
SCHEMBL3209101 0.76 ALDH1A1 (0.41) SMARCA2SMARCA4PBRM1KDM4EMEN1

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 SMARCA2 3437/4885SMARCA4 3037/4885PBRM1 2510/4885

“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.