SCHEMBL17618794

SCHEMBL17618794

O=C(NCCN1CCOCC1)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ MAP4K4 O95819 1/20 0.42
▸ LIPG Q9Y5X9 1/20 0.42
▸ CD274 Q9NZQ7 1/20 0.42
▸ CNR2 P34972 4/20 0.42
▸ KCNH2 Q12809 2/20 0.41
▸ CTSK P43235 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ SMO Q99835 1/20 0.40
▸ HTR1A P08908 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL17618787 0.95 SMN1; SMN2 (0.45) LIPGCNR2KCNH2CTSKTRPV4
SCHEMBL17778734 0.88 KCNH2 (0.42) LIPGKCNH2RPS6KB1TSHR
SCHEMBL17768260 0.87 KMT2A (0.40) LIPGCNR2RPS6KB1TSHRPOLB
SCHEMBL19699710 0.86 ITGB2 (0.42) LIPGKCNH2CTSKRPS6KB1TSHR
SCHEMBL19689730 0.86 ITGB2 (0.42) LIPGKCNH2CTSKRPS6KB1TSHR
SCHEMBL19670281 0.86 LMNA (0.47) LMNAMAP4K4CD274CNR2KCNH2
SCHEMBL19689756 0.85 KMT2A (0.41) CNR2TSHR
SCHEMBL19346988 0.85 CASP6 (0.41) LIPGTSHRDRD2
SCHEMBL16238924 0.85 TP53 (0.42) LIPGTSHRTRPV4
SCHEMBL19346987 0.85 CASP6 (0.41) LIPGTSHRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LMNA 3671/4885MAP4K4 1867/4885LIPG 355/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LMNA 3617/4885MAP4K4 2229/4885LIPG 447/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 LMNA 3617/4885MAP4K4 2229/4885LIPG 447/4885

“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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