SCHEMBL17618698

SCHEMBL17618698

Cc1nn(C)c(C)c1-c1ccc2c(n1)N(C(=O)Nc1cccnc1)[C@H]1CCN2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 8/20 0.39
▸ HTR2A P28223 7/20 0.39
▸ NAMPT P43490 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.36
▸ PI4KB Q9UBF8 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL19361188 0.86 HTR2A (0.39) HTR2CHTR2ANAMPTPI4KBMAPT
SCHEMBL17618727 0.85 HTR2C (0.39) HTR2CHTR2API4KBMAPTALDH1A1
SCHEMBL17618699 0.85 NAMPT (0.46) HTR2CHTR2ANAMPTPI4KBMAPT
SCHEMBL16754622 0.84 HTR2C (0.40) HTR2CHTR2API4KBMAPTALDH1A1
SCHEMBL17618732 0.84 ALDH1A1 (0.44) HTR2CHTR2ANAMPTPI4KBMAPT
SCHEMBL17618705 0.83 SIGLEC9 (0.43) HTR2CHTR2API4KBMAPTALDH1A1
SCHEMBL17618626 0.82 MCL1 (0.46) HTR2CHTR2ANAMPTPI4KBMAPT
SCHEMBL19699039 0.82 HTR2C (0.46) HTR2CHTR2AMAPTALDH1A1GAA
SCHEMBL19689778 0.81 HTR2C (0.41) HTR2CHTR2API4KBMAPTALDH1A1
SCHEMBL17618700 0.81 HTR2C (0.39) HTR2CHTR2API4KBMAPTALDH1A1

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 HTR2C 4649/4885HTR2A 4359/4885NAMPT 63/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2A 4386/4885NAMPT 74/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 HTR2C 4651/4885HTR2A 4386/4885NAMPT 74/4885

“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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