SCHEMBL8932658

SCHEMBL8932658

O=CC1CCC(c2cccc(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 3/20 0.40
PARP10 Q53GL7 2/20 0.40
HDAC4 P56524 2/20 0.39
SCD5 Q86SK9 1/20 0.39
DRD4 P21917 1/20 0.39
NPC1 O15118 1/20 0.39
GRM2 Q14416 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MLYCD O95822 1/20 0.37
LIPE Q05469 1/20 0.37
PARP14 Q460N5 1/20 0.37
RIPK1 Q13546 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL2858394 1.00 HCRTR2 (0.40) HCRTR2PARP10HDAC4SCD5DRD4
Formamide SCHEMBL28182476 0.86 PARP10 (0.44) HCRTR2PARP10HDAC4SCD5DRD4
SCHEMBL1515236 0.85 HTR2C (0.47) HCRTR2PARP10HDAC4SCD5DRD4
SCHEMBL29878889 0.85 HTR2C (0.47) HCRTR2PARP10HDAC4SCD5DRD4
SCHEMBL2863492 0.83 HTR2C (0.38) HCRTR2PARP10HDAC4SCD5DRD4
SCHEMBL2863491 0.83 HTR2C (0.38) HCRTR2PARP10HDAC4SCD5DRD4
SCHEMBL7851738 0.82 HCRTR2 (0.36) HCRTR2GRM2
SCHEMBL16210861 0.82 HCRTR2 (0.36) HCRTR2GRM2
SCHEMBL21104468 0.81 GRIA4 (0.39) HCRTR2HDAC4SCD5DRD4HTR2A
SCHEMBL5983355 0.79 SLC6A3 (0.43) DRD4GRM2HTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109952300-B 5-or 8-substituted imidazo [1,5-a ] pyridines 百济神州有限公司 2022-01-18 CN disclosed
EP-2206695-B1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-09-18 EP disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 EP 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-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 HCRTR2 2324/4885PARP10 2870/4885HDAC4 1987/4885

“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.