SCHEMBL12880403

SCHEMBL12880403

CC(C)CCOc1cccnc1F

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
HTT P42858 1/20 0.46
CHRNB2 P17787 2/20 0.45
CHRNA4 P43681 1/20 0.45
IDO1 P14902 1/20 0.44
CHRNA6 Q15825 1/20 0.43
TLR8 Q9NR97 1/20 0.43
PPIA P62937 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 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
SCHEMBL20247436 0.85 CHRNB2 (0.42) MCHR1HTTCHRNB2CHRNA4CHRNA6
SCHEMBL1563915 0.81 MCHR1 (0.48) MCHR1HTTCHRNB2CHRNA4IDO1
SCHEMBL12893078 0.80 CHRNB2 (0.47) MCHR1CHRNB2CHRNA4CHRNA6TLR8
1,2-Diisopentoxybenzene SCHEMBL2843498 0.77 HTT (0.62) MCHR1HTTIDO1TLR8TDP1
SCHEMBL19368174 0.77 L3MBTL1 (0.58) MCHR1HTTIDO1TLR8TDP1
SCHEMBL3433200 0.77 KDM4E (0.55) CHRNB2CHRNA4CHRNA6TDP1MEN1
SCHEMBL18833817 0.76 CHRNB2 (0.49) HTTCHRNB2CHRNA4CHRNA6TDP1
SCHEMBL13533392 0.76 TLR8 (0.47) MCHR1TLR8
SCHEMBL4807186 0.75 HTR1B (0.47) CHRNB2CHRNA4CHRNA6TDP1MEN1
SCHEMBL20247449 0.75 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA6TDP1POLB

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-2252605-B1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INST NAT SANTE RECH MED (FR) 2018-06-13 EP disclosed
US-9125937-B2 Labelled analogues of halobenzamides as multimodal radiopharmaceuticals and their precursors INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2015-09-08 US disclosed
US-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-02-24 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 (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-20110044899-A1 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS CBR3, ADRB3, HRH4 MCHR1 311/4885HTT 1391/4885CHRNB2 664/4885

“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.