SCHEMBL16775858

SCHEMBL16775858

Cc1cccc(-c2ccc3c(n2)N(C(=O)Nc2cc(OCC(O)CO)ccn2)[C@H](C)CCN3)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA2 Q15349 1/20 0.36
▸ CA9 Q16790 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ HCRTR2 O43614 2/20 0.33
▸ CARM1 Q86X55 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MET P08581 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ KRAS P01116 1/20 0.33
▸ KDR P35968 2/20 0.32
▸ EGFR P00533 1/20 0.32
▸ KMO O15229 1/20 0.32
▸ CSF1R P07333 2/20 0.32

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
SCHEMBL16775859 0.90 RPS6KA2 (0.33) RPS6KA2CA9ADORA3ADORA2AEGFR
SCHEMBL16775861 0.85 VCP (0.36) RPS6KA2CA9ADORA3ADORA2AADORA1
SCHEMBL16785565 0.81 RAF1 (0.35) CA9ADORA2AKMO
SCHEMBL16785650 0.80 RAF1 (0.37) CA9ADORA2AKMO
SCHEMBL16775934 0.79 USP30 (0.40) ADORA2AHCRTR2CYP1A2CYP2C19TSHR
SCHEMBL16776474 0.79 FAAH (0.39) RPS6KA2CA9ADORA2AKMO
SCHEMBL16776124 0.78 CNR2 (0.38) RPS6KA2KDM4EEGFRKMOTSHR
SCHEMBL19670156 0.75 PRMT5 (0.40) CARM1CYP1A2
SCHEMBL16775870 0.75 GRM5 (0.39) RPS6KA2CA9ADORA3ADORA2AADORA1
SCHEMBL16775849 0.75 KDM4C (0.34) RPS6KA2CA9ADORA2AHCRTR2EGFR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RPS6KA2 2318/4885CA9 4248/4885ADORA3 2733/4885

“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.

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