SCHEMBL13314952

SCHEMBL13314952

Cc1ccc(C2CC(C)NC(C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
MAP1LC3B Q9GZQ8 1/20 0.36
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SLC18A3 Q16572 1/20 0.35
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL26938568 1.00 MAPT (0.42) MAPTATMNPSR1CYP1A2CYP3A4
SCHEMBL16510459 0.81 CYP19A1 (0.35) MAPTALDH1A1SLC18A3ACHELMNA
SCHEMBL768116 0.80 SLC18A3 (0.45) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL26938558 0.78 HPGD (0.42) ATMALDH1A1NISCHTDP1LMNA
SCHEMBL7121523 0.78 PLG (0.42) MAPTATMNPSR1CYP1A2CYP3A4
SCHEMBL7121518 0.78 PLG (0.42) MAPTATMNPSR1CYP1A2CYP3A4
SCHEMBL7121516 0.78 PLG (0.42) MAPTATMNPSR1CYP1A2CYP3A4
SCHEMBL15030167 0.78 SLC18A3 (0.40) CYP3A4CYP2C19ALDH1A1SLC18A3SLC6A2
SCHEMBL1335714 0.77 SLC6A4 (0.44) MAPTATMNPSR1HTR2AHTR2C
SCHEMBL1335712 0.77 SLC6A4 (0.44) MAPTATMNPSR1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
US-7737149-B2 N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2H-pyrazol-3-yl]-4-(3,5-dimethylpiperazin-1-yl)benzamide and salts thereof ASTRAZENECA AB (SE) 2010-06-15 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 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-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAPT 3682/4885ATM 1127/4885NPSR1 3736/4885

“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.