SCHEMBL6419682

SCHEMBL6419682

CCc1n[nH]c(CC)c1Cc1ccc(Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
SLC5A1 P13866 1/20 0.38
SLC5A2 P31639 1/20 0.38
ALDH1A1 P00352 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
P2RX7 Q99572 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR1D P28221 1/20 0.35
TTR P02766 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
KCNH2 Q12809 1/20 0.32
POLB P06746 1/20 0.32
PDE3B Q13370 1/20 0.32

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
SCHEMBL12803039 0.83 ALDH1A1 (0.40) NPC1ALDH1A1APOBEC3GHRH3HTR1D
SCHEMBL13665681 0.81 ALDH1A1 (0.39) SLC5A1SLC5A2ALDH1A1P2RX7TTR
SCHEMBL4610271 0.80 CYP2A6 (0.47) SLC5A1SLC5A2P2RX7HRH3KCNH2
SCHEMBL4240032 0.76 AR (0.59) NPC1P2RX7TTRMAPT
SCHEMBL5750895 0.74 KCNH2 (0.42) SLC5A1SLC5A2P2RX7TTRFPR2
SCHEMBL22197860 0.68 MEN1 (0.62) NPC1ALDH1A1APOBEC3GP2RX7MAPT
SCHEMBL2104108 0.67 HRH3 (0.41) ALDH1A1HRH3TAAR1MAPT
SCHEMBL952800 0.67 TAAR1 (0.53) P2RX7TTRTAAR1KCNH2
SCHEMBL8943452 0.67 KCNH2 (0.37) P2RX7KCNH2
Hydrochloric Acid SCHEMBL5287806 0.66 P2RX7 (0.36) P2RX7TTRKCNH2

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-20050119246-A1 2-(4-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethylcarbamate; appetite suppressants; obesity, diabetes, feeding behavior, bulimia, anorexia nervosa and premenstrual tension; side effect reduction BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-02 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-20050119246-A1 2-(4-{[1-(2,2-dimethylpropanoyl)-4-piperidinyl]methyl}-3,5-dimethyl-1H-pyrazol-1-yl)-1-methylethylcarbamate; appetite suppressants; obesity, diabetes, feeding behavior, bulimia, anorexia nervosa and premenstrual tension; side effect reduction HTR2C, GPR119, HTR2B NPC1 4513/4885SLC5A1 277/4885SLC5A2 166/4885

“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.