SCHEMBL10447104

SCHEMBL10447104

CC1c2cc(F)ccc2CCc2c(CO)cccc21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.40
HTR2A P28223 2/20 0.40
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
S1PR1 P21453 1/20 0.35
PGR P06401 1/20 0.33
MAOB P27338 1/20 0.32
PIN1 Q13526 2/20 0.32
SLC6A4 P31645 1/20 0.31
MTNR1B P49286 1/20 0.30

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
SCHEMBL10444599 0.84 HTR2A (0.35) HTR2CHTR2ADRD2DRD1DRD4
SCHEMBL16385856 0.78 HTR2C (0.58) HTR2CHTR2ASLC6A4
SCHEMBL16549818 0.77 HTR2A (0.33) HTR2CHTR2A
SCHEMBL10446749 0.68 HTR2C (0.44) HTR2CHTR2ASLC6A4MTNR1B
SCHEMBL11702749 0.67 HTR2C (0.50) HTR2CHTR2ASLC6A4
SCHEMBL14303286 0.66 HTR2A (0.45) HTR2CHTR2A
SCHEMBL20014446 0.66 S1PR1 (0.31) DRD2DRD1DRD4DRD5S1PR1
SCHEMBL11822622 0.66 PIN1 (0.46) HTR2CHTR2APIN1
SCHEMBL10273805 0.65 S1PR1 (0.48) DRD2DRD1DRD4DRD5S1PR1
SCHEMBL14415680 0.65 HTR2A (0.43) HTR2CHTR2ADRD2PIN1SLC6A4

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-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2019-08-15 US disclosed
EP-2620436-B1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2018-05-09 EP disclosed
EP-2444400-B1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2018-03-28 EP disclosed
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO., LTD. (JP) 2017-12-07 US disclosed
US-9758515-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2017-09-12 US disclosed
US-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG SHIONOGI & CO (JP) 2015-04-23 US disclosed
US-8987441-B2 Substituted polycyclic carbamoyl pyridone derivative prodrug SHIONOGI & CO., LTD. (JP) 2015-03-24 US disclosed
US-8927710-B2 Substituted polycyclic carbamoylpyridone derivative SHIONOGI & CO., LTD. (JP) 2015-01-06 US disclosed
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-07-19 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 (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-20150111854-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HTR2C 2588/4885HTR2A 3244/4885DRD2 4408/4885
US-20120184734-A1 SUBSTITUTED POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE CNBP, ZC3HAV1, DPP4 HTR2C 3531/4885HTR2A 3825/4885DRD2 4402/4885
US-20190248785-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HTR2C 2588/4885HTR2A 3244/4885DRD2 4408/4885
US-20170349587-A1 SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG PREP, UNG, DPP4 HTR2C 2588/4885HTR2A 3244/4885DRD2 4408/4885

“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.