SCHEMBL1072610

SCHEMBL1072610

C=CCn1cc(C)c2c3ccccc3nc(O[C@@H]3C[C@@H](C(=O)O)N(C)C3)c21

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.31
CNR2 P34972 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TRPM5 Q9NZQ8 1/20 0.30

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
SCHEMBL15397455 0.91 AGTR2 (0.31) MEN1KMT2A
SCHEMBL15397447 0.83 CHEK2 (0.33) MEN1KMT2A
SCHEMBL12934513 0.81 P2RX3 (0.38)
SCHEMBL1072609 0.79 CHEK2 (0.42) CNR2MEN1KMT2A
SCHEMBL12963617 0.78 KDM4E (0.30) MEN1KMT2A
SCHEMBL20309994 0.76 ADORA3 (0.41) MEN1KMT2A
SCHEMBL1070739 0.75 KDM4E (0.33)
SCHEMBL1260182 0.75 TDP1 (0.44) MEN1KMT2A
SCHEMBL16106959 0.74 HTR3E (0.36) MEN1KMT2A
SCHEMBL3501451 0.71 PDE4B (0.40) MEN1KMT2A

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-20110002884-A1 THERAPEUTIC COMPOUNDS MERCK SHARP & DOHME LLC 2011-01-06 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-20110002884-A1 THERAPEUTIC COMPOUNDS RRP1B, ZC3HAV1, RNASE1 PTGER4 3551/4885CNR2 3721/4885MEN1 3427/4885

“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.