SCHEMBL16785644

SCHEMBL16785644

CC[C@@H]1CNc2ccc(-c3cccc(Cl)c3)nc2N(C(=O)Nc2cccnc2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ HTR2A P28223 11/20 0.42
▸ HTR2C P28335 11/20 0.42
▸ TP53 P04637 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NOTUM Q6P988 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ FAAH O00519 3/20 0.39

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
SCHEMBL16776374 0.89 TSHR (0.46) TSHRHTR2AHTR2CTP53POLB
SCHEMBL16785583 0.85 FAAH (0.38) TP53GAASMN1; SMN2FAAH
SCHEMBL16775910 0.81 TSHR (0.48) TSHRHTR2AHTR2CTP53POLB
SCHEMBL16776371 0.80 BRAF (0.38) TSHRTP53GAASMN1; SMN2
SCHEMBL16776360 0.77 HTR2C (0.46) TSHRHTR2AHTR2CMAPTFAAH
SCHEMBL16776380 0.77 BRAF (0.46) TP53POLBMAPTGAASMN1; SMN2
SCHEMBL1815620 0.75 HTR2C (0.49) TSHRHTR2AHTR2CTP53GAA
SCHEMBL16776375 0.74 FAAH (0.38) TP53GAASMN1; SMN2FAAH
SCHEMBL12654217 0.74 HTR2C (0.56) TSHRHTR2AHTR2CTP53POLB
SCHEMBL16776372 0.73 CNR2 (0.51) TP53GAASMN1; SMN2FAAH

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-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 TSHR 3064/4885HTR2A 4386/4885HTR2C 4651/4885

“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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