SCHEMBL16775788

SCHEMBL16775788

C[C@@H]1CN(c2ccc3c(n2)N[C@@H]2CCN3C2)C[C@H](C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ NR3C2 P08235 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ PDE10A Q9Y233 2/20 0.35
▸ ATM Q13315 2/20 0.34
▸ PRKDC P78527 1/20 0.33
▸ MAP3K7 O43318 3/20 0.33
▸ BTK Q06187 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ AOC3 Q16853 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TSHR P16473 1/20 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
SCHEMBL16754674 1.00 KMT2A (0.43) KMT2AKDM4EALDH1A1GAANR3C2
SCHEMBL16754467 1.00 KMT2A (0.43) KMT2AKDM4EALDH1A1GAANR3C2
SCHEMBL16754643 1.00 KMT2A (0.43) KMT2AKDM4EALDH1A1GAANR3C2
SCHEMBL17778155 1.00 KMT2A (0.43) KMT2AKDM4EALDH1A1GAANR3C2
SCHEMBL17778198 1.00 KMT2A (0.43) KMT2AKDM4EALDH1A1GAANR3C2
SCHEMBL17778266 1.00 KMT2A (0.43) KMT2AKDM4EALDH1A1GAANR3C2
SCHEMBL16238283 0.81 HTR3E (0.43) KDM4EALDH1A1TDP1
SCHEMBL16238612 0.80 MAP4K4 (0.47) PDE10ABTK
SCHEMBL20632095 0.80 MAP4K4 (0.47) PDE10ABTK
SCHEMBL19865061 0.79 HTR3A (0.41) KDM4EALDH1A1PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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 KMT2A 1438/4885KDM4E 950/4885ALDH1A1 1726/4885

“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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