SCHEMBL13073061

SCHEMBL13073061

C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ CYP1A2 P05177 1/20 1.00
▸ CYP2C19 P33261 1/20 1.00
▸ KMT2A Q03164 1/20 1.00

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
Bromide SCHEMBL3989856 0.98 CHRM2 (1.00) CHRM2MEN1CYP1A2CYP2C19KMT2A
Bromide SCHEMBL9147626 0.92 CHRM2 (0.88) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL12802521 0.89 CHRM2 (0.79) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL9151027 0.89 CHRM2 (0.78) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL12802779 0.88 CHRM2 (0.79) CHRM2MEN1CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL6685326 0.87 CHRM2 (0.76) CHRM2MEN1CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL6685837 0.87 CHRM2 (0.76) CHRM2MEN1CYP1A2CYP2C19KMT2A
Hydrochloric Acid SCHEMBL6691235 0.87 CHRM2 (0.76) CHRM2MEN1CYP1A2CYP2C19KMT2A
Bromide SCHEMBL7141283 0.87 CHRM2 (0.80) CHRM2MEN1CYP1A2CYP2C19KMT2A
SCHEMBL2196672 0.86 CHRM2 (0.75) CHRM2MEN1CYP1A2CYP2C19KMT2A

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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 — — US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 — — 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-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS CHRM2 4883/4885MEN1 2224/4885CYP1A2 4648/4885

“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.

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