SCHEMBL16775749

SCHEMBL16775749

C[C@@H]1CCCN(c2ccc3c(n2)N(C(=O)Nc2cccc(-c4cnco4)c2)[C@H]2CCN3C2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 1/20 0.43
▸ RHOA P61586 2/20 0.42
▸ BRD4 O60885 2/20 0.41
▸ CREBBP Q92793 2/20 0.41
▸ BRAF P15056 1/20 0.40
▸ CCR3 P51677 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LIMK2 P53671 1/20 0.38
▸ CASR P41180 1/20 0.38
▸ PRKCQ Q04759 1/20 0.37
▸ ROCK2 O75116 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ MEN1 O00255 1/20 0.36

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
SCHEMBL19670350 0.93 RHOA (0.45) DGAT2RHOABRD4CREBBPBRAF
SCHEMBL16250007 0.90 RHOA (0.45) DGAT2RHOABRD4CREBBPBRAF
SCHEMBL16238216 0.90 RHOA (0.45) DGAT2RHOABRD4CREBBPBRAF
SCHEMBL16239267 0.90 RHOA (0.45) DGAT2RHOABRD4CREBBPBRAF
SCHEMBL16238213 0.90 RHOA (0.45) DGAT2RHOABRD4CREBBPBRAF
SCHEMBL19365395 0.88 RHOA (0.40) DGAT2RHOABRD4CREBBPBRAF
SCHEMBL19365682 0.88 RHOA (0.46) DGAT2RHOABRD4CREBBPBRAF
SCHEMBL19670606 0.88 RHOA (0.46) DGAT2RHOABRD4CREBBPBRAF
SCHEMBL16249989 0.88 RHOA (0.46) DGAT2RHOABRD4CREBBPBRAF
SCHEMBL19706086 0.86 RHOA (0.46) DGAT2RHOABRD4CREBBPBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — 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-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-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 (4 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 DGAT2 1022/4885RHOA 4858/4885BRD4 194/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DGAT2 1047/4885RHOA 4798/4885BRD4 180/4885
US-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DGAT2 1022/4885RHOA 4858/4885BRD4 194/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DGAT2 1047/4885RHOA 4798/4885BRD4 180/4885

“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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