SCHEMBL2809245

SCHEMBL2809245

CCCCC#Cc1cccc(N)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
ASIC3 Q9UHC3 1/20 0.43
KCNH2 Q12809 1/20 0.42
TSHR P16473 1/20 0.42
FFAR1 O14842 1/20 0.40
CYP2D6 P10635 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL3684156 0.93 KCNH2 (0.51) DRD2DRD3ASIC3KCNH2TSHR
SCHEMBL2813014 0.93 KCNH2 (0.51) DRD2DRD3ASIC3KCNH2TSHR
SCHEMBL23426194 0.89 CYP2D6 (0.47) DRD2DRD3ASIC3TSHRFFAR1
SCHEMBL1312083 0.83 ASIC3 (0.52) DRD2DRD3ASIC3FFAR1
SCHEMBL2810465 0.82 FFAR1 (0.44) DRD2DRD3ASIC3FFAR1CYP2D6
SCHEMBL29843869 0.79 DRD2 (0.44) DRD2DRD3KCNH2FFAR1
SCHEMBL2813051 0.79 KCNH2 (0.42) KCNH2FFAR1CYP2D6HRH3
SCHEMBL2810365 0.79 HSD17B13 (0.45) KCNH2FFAR1
SCHEMBL5425213 0.79 ASIC3 (0.62) DRD2DRD3ASIC3FFAR1
SCHEMBL7402987 0.78 FFAR1 (0.44) DRD2DRD3ASIC3FFAR1

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-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF FUJIFILM CORPORATION (JP) 2010-11-11 US disclosed
US-20100240908-A1 ACETYLENE COMPOUND FUJIFILM CORPORATION (JP) 2010-09-23 US disclosed
EP-2202220-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF Fujifilm Corporation (JP) 2010-06-30 EP disclosed
EP-2202221-A1 ACETYLENE COMPOUND Fujifilm Corporation (JP) 2010-06-30 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 (2 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-20100240908-A1 ACETYLENE COMPOUND NAT1, KATNA1, KAT2B DRD2 2424/4885DRD3 1805/4885ASIC3 1882/4885
US-20100286353-A1 ACETYLENE COMPOUND, SALT THEREOF, CONDENSATE THEREOF, AND COMPOSITION THEREOF KAT8, HDAC10, SSRP1 DRD2 3152/4885DRD3 1857/4885ASIC3 2371/4885

“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.