SCHEMBL19365246

SCHEMBL19365246

CN1CCCN(C(=O)Nc2cccc(C3CCN(C(=O)OC(C)(C)C)C3)c2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.44
▸ POLB P06746 1/20 0.44
▸ MCHR1 Q99705 2/20 0.42
▸ JAK2 O60674 3/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ PTK2 Q05397 2/20 0.42
▸ SCN9A Q15858 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ GRIN2B Q13224 1/20 0.37
▸ TACR1 P25103 1/20 0.37
▸ NAMPT P43490 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 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
SCHEMBL19365423 0.91 MCHR1 (0.44) MAPTMCHR1JAK2MEN1LMNA
SCHEMBL19365414 0.86 MCHR1 (0.45) MAPTMCHR1GRIN2BALDH1A1GAA
SCHEMBL19365248 0.85 MCHR1 (0.41) MAPTPOLBMCHR1MEN1KMT2A
SCHEMBL16754707 0.85 MAPT (0.45) MAPTPOLBMCHR1JAK2JAK3
SCHEMBL16250008 0.85 MAPT (0.45) MAPTPOLBMCHR1JAK2JAK3
SCHEMBL19365425 0.80 MCHR1 (0.45) MAPTMCHR1JAK2MEN1LMNA
SCHEMBL19365266 0.79 GRIN2B (0.38) MAPTLMNASMN1; SMN2GRIN2BCA2
SCHEMBL19670371 0.78 NAMPT (0.44) MAPTPOLBLMNASMN1; SMN2NAMPT
SCHEMBL19669976 0.78 HTR2A (0.52) MAPTSCN9AMEN1LMNAKMT2A
SCHEMBL16776338 0.78 MCHR1 (0.44) MAPTMCHR1JAK2MEN1LMNA

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
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-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 303/4885POLB 798/4885MCHR1 4022/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MAPT 267/4885POLB 961/4885MCHR1 4256/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MAPT 267/4885POLB 961/4885MCHR1 4256/4885

“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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