SCHEMBL21243271

SCHEMBL21243271

Cc1ccccc1CCNCCc1ccccc1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 2/20 0.59
▸ TAAR1 Q96RJ0 5/20 0.58
▸ MPO P05164 2/20 0.45
▸ MAPT P10636 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ DAO P14920 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA1D P25100 1/20 0.41

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
SCHEMBL20615042 0.92 CHRM2 (0.52) CHRM2TAAR1MPOMAPTHTT
SCHEMBL9201570 0.90 CHRM2 (0.50) CHRM2TAAR1MPOMAPTHTT
SCHEMBL10725177 0.89 TAAR1 (0.52) CHRM2TAAR1MPOMAPTHTT
Hydrochloric Acid SCHEMBL9207321 0.88 CHRM2 (0.49) CHRM2TAAR1MPOMAPTHTT
SCHEMBL16268723 0.87 CHRM2 (0.47) CHRM2TAAR1
SCHEMBL9490687 0.87 CHRM2 (0.56) CHRM2TAAR1MAPT
SCHEMBL19405245 0.84 ALDH1A1 (0.51) CHRM2TAAR1MPOMAPTMEN1
SCHEMBL3057770 0.84 TAAR1 (0.61) CHRM2TAAR1MAPTHTTMEN1
SCHEMBL3207836 0.84 ITGB3 (0.49) CHRM2TAAR1MAPTHTTMEN1
SCHEMBL8096347 0.82 SIGMAR1 (0.69) CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248958-A1 PREPARATION METHOD OF OLIGOMER ADDITIVE, OLIGOMER ADDITIVE, AND LITHIUM BATTERY NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2019-08-15 — — 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-20190248958-A1 PREPARATION METHOD OF OLIGOMER ADDITIVE, OLIGOMER ADDITIVE, AND LITHIUM BATTERY PCNA, SCO2, PARG CHRM2 963/4885TAAR1 2580/4885MPO 2929/4885

“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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