SCHEMBL4248032

SCHEMBL4248032

Cc1c(C2C3CCC2CN(Cc2ccccc2)C3)cccc1N(C(=O)O)c1ccc(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ACHE P22303 2/20 0.38
SCN1A P35498 2/20 0.36
SCN8A Q9UQD0 2/20 0.36
S1PR1 P21453 2/20 0.36
CHRM2 P08172 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
POLB P06746 1/20 0.35
PTGIR P43119 1/20 0.35
PTGDR Q13258 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL4241459 0.89 ACHE (0.41) GRIN2BSIGMAR1ACHESCN1ASCN8A
SCHEMBL4237325 0.85 SIGMAR1 (0.42) GRIN2BSIGMAR1SCN1ASCN8AMEN1
SCHEMBL4244914 0.84 MEN1 (0.42) SIGMAR1ACHES1PR1MEN1KMT2A
SCHEMBL4250529 0.84 MEN1 (0.40) SIGMAR1ACHES1PR1MEN1KMT2A
SCHEMBL4244829 0.81 SIGMAR1 (0.41) GRIN2BSIGMAR1ACHECHRM2MEN1
SCHEMBL4240896 0.80 SIGMAR1 (0.40) GRIN2BSIGMAR1ACHESCN1ASCN8A
SCHEMBL4238217 0.78 HTT (0.45) SIGMAR1ACHEMEN1KMT2AKDM4E
SCHEMBL4248187 0.76 CCR5 (0.39) ACHEKDM4E
SCHEMBL4237283 0.74 SIGMAR1 (0.42) SIGMAR1S1PR1MEN1KMT2A
SCHEMBL4248026 0.73 PTGIR (0.57) PTGIRPTGDR

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-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 GRIN2B 421/4885SIGMAR1 317/4885ACHE 108/4885

“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.