SCHEMBL13745864

SCHEMBL13745864

Cc1ccc(-c2cccc(F)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CYP2A6 P11509 1/20 0.46
ELANE P08246 1/20 0.44
ALOX5AP P20292 1/20 0.42
PTGS2 P35354 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
PIM1 P11309 1/20 0.40
MAPK10 P53779 1/20 0.40
HPGDS O60760 1/20 0.39
PDK2 Q15119 1/20 0.38
TDO2 P48775 1/20 0.38
MAOB P27338 2/20 0.38
CCR1 P32246 1/20 0.38
CCR8 P51685 1/20 0.38
TGFBR1 P36897 1/20 0.38
TGFBR2 P37173 1/20 0.38

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
SCHEMBL30146674 0.83 CYP2A6 (0.65) CYP2A6ELANENPC1PKMRAB9A
SCHEMBL3421947 0.83 CYP2A6 (0.65) CYP2A6ELANENPC1PKMRAB9A
SCHEMBL4021202 0.79 MAPT (0.48) MAPTALOX5APNPC1RAB9ATDO2
SCHEMBL13680479 0.79 CYP2A6 (0.54) MAPTCYP2A6CCR1CCR8TGFBR1
SCHEMBL13662706 0.79 ASIC3 (0.53) CYP2A6ELANEPTGS2NPC1PKM
SCHEMBL13728687 0.78 MAPT (0.45) MAPTCYP2A6ALOX5APGRIN1GRIN2B
SCHEMBL13750509 0.78 PTGS2 (0.47) CYP2A6PTGS2GRIN1GRIN2BPDK2
SCHEMBL27941945 0.77 ALDH1A3 (0.45) MAPTNPC1RAB9A
SCHEMBL29311721 0.76 PDE10A (0.49) CYP2A6ELANEALOX5APNPC1PKM
SCHEMBL13750588 0.75 CTSS (0.47) CYP2A6ELANENPC1PKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154970-B1 PYRROLO[2,3-C]PYRIDINES AS IMAGING AGENTS FOR NEUROFIBRILARY TANGLES MERCK SHARP & DOHME (US) 2019-11-06 EP disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 WO 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R MAPT 4668/4885CYP2A6 1366/4885ELANE 2598/4885

“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.