SCHEMBL12809152

SCHEMBL12809152

N#CC1CC(C#N)CC(c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
SLC18A3 Q16572 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
MAOB P27338 8/20 0.37
MAOA P21397 7/20 0.37
KDM1A O60341 5/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2B6 P20813 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C9 P11712 2/20 0.37
LMNA P02545 2/20 0.37
TAAR1 Q96RJ0 2/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2A6 P11509 1/20 0.37

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
SCHEMBL22209814 0.98 GAA (0.43) GAAMAPTSLC18A3SIGMAR1AKR1C3
SCHEMBL10177659 0.83 AKR1C3 (0.47) GAAMAPTSLC18A3SIGMAR1AKR1C3
SCHEMBL1399510 0.80 AKR1C3 (0.41) SLC18A3SIGMAR1AKR1C3AKR1C1
SCHEMBL10177633 0.80 AKR1C3 (0.41) SLC18A3SIGMAR1AKR1C3AKR1C1
SCHEMBL10177636 0.80 AKR1C3 (0.41) SLC18A3SIGMAR1AKR1C3AKR1C1
SCHEMBL26302859 0.79 CHRNB4 (0.42) GAAMAPTSLC18A3SIGMAR1MAOB
SCHEMBL26302858 0.79 CHRNB4 (0.42) GAAMAPTSLC18A3SIGMAR1MAOB
SCHEMBL31435485 0.79 CHRNB4 (0.42) GAAMAPTSLC18A3SIGMAR1MAOB
SCHEMBL1399533 0.78 SLC18A3 (0.48) GAAMAPTSLC18A3SIGMAR1AKR1C3
SCHEMBL10343084 0.78 SLC18A3 (0.48) GAAMAPTSLC18A3SIGMAR1AKR1C3

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
EP-1882282-B1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY USING THE SAME LG CHEMICAL LTD (KR) 2011-03-02 EP disclosed
US-20100099905-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY USING THE SAME LG CHEM, LTD. (KR) 2010-04-22 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-20100099905-A1 ADDITIVE FOR NON-AQUEOUS ELECTROLYTE AND SECONDARY BATTERY USING THE SAME HCN2, HCN3, NHERF1 GAA 2624/4885MAPT 4733/4885SLC18A3 574/4885

“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.