SCHEMBL19706032

SCHEMBL19706032

CC(=O)NCc1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N(C)CCC[C@H]2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CCR2 P41597 2/20 0.37
▸ MTOR P42345 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MCHR1 Q99705 2/20 0.37
▸ MAPT P10636 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ CCR1 P32246 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ SYK P43405 1/20 0.35

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
SCHEMBL19670185 0.92 KDM4E (0.39) KDM4EOPRM1OPRD1CA2CA9
SCHEMBL16249987 0.85 KDM4E (0.41) KDM4EOPRM1OPRD1CA2CA9
SCHEMBL19670250 0.84 CA2 (0.37) KDM4EOPRM1OPRD1CA2CA9
SCHEMBL19862439 0.84 KMT2A (0.41) KDM4EOPRM1OPRD1CA2CA9
SCHEMBL19365904 0.84 MAPT (0.43) CA2CA9ALDH1A1KMT2AMCHR1
SCHEMBL19365498 0.84 HTR2C (0.46) TSHRKMT2AMAPT
Trifluoroacetic Acid SCHEMBL16238731 0.83 KDM4E (0.40) KDM4EOPRM1OPRD1CA2CA9
SCHEMBL19365708 0.80 MAPT (0.41) CA2CA9ALDH1A1KMT2AMCHR1
SCHEMBL19670371 0.80 NAMPT (0.44) CA2CA9TDP1POLBMAPT
SCHEMBL19365254 0.79 HTR2C (0.47) TSHRKMT2AMAPT

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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KDM4E 950/4885OPRM1 4254/4885OPRD1 4528/4885

“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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