SCHEMBL23596366

SCHEMBL23596366

CCCOCCOCCOCCOc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 6/20 0.60
CHRNA4 P43681 6/20 0.60
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP19A1 P11511 1/20 0.51
KMT2A Q03164 1/20 0.50
TSHR P16473 2/20 0.45
MAPK1 P28482 1/20 0.45
FAAH O00519 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL31742565 0.91 CHRNB2 (0.65) CHRNB2CHRNA4CYP3A4LMNA
SCHEMBL30338591 0.89 CHRNB2 (0.68) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL171896 0.89 CHRNB2 (0.68) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
Ammonia Solution, Strong SCHEMBL7207615 0.87 CHRNB2 (0.66) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL422229 0.84 CYP2C9 (0.70) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL29469519 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CYP3A4KMT2A
SCHEMBL12568183 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CYP3A4KMT2A
SCHEMBL20930335 0.83 CHRNB2 (0.56) CHRNB2CHRNA4CYP3A4
SCHEMBL20730105 0.82 CHRNB2 (0.64) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4
SCHEMBL9367178 0.81 CHRNB2 (0.62) CHRNB2CHRNA4CYP2C9CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11806409-B2 Imaging methods using 18F-radiolabeled biologics BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-07 US disclosed
US-20210196843-A1 IMAGING METHODS USING 18F-RADIOLABELED BIOLOGICS BRISTOL-MYERS SQUIBB COMPANY 2021-07-01 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 (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-20210196843-A1 IMAGING METHODS USING 18F-RADIOLABELED BIOLOGICS FCGRT, FAP, FUCA1 CHRNB2 4370/4885CHRNA4 4850/4885CYP2C9 2669/4885
US-11806409-B2 Imaging methods using 18F-radiolabeled biologics FCGRT, FAP, FUCA1 CHRNB2 4370/4885CHRNA4 4850/4885CYP2C9 2669/4885

“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.