SCHEMBL6417827

SCHEMBL6417827

Cc1nn(CCN)c(C)c1Br

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
APAF1 O14727 1/20 0.46
ATM Q13315 1/20 0.45
HPGD P15428 3/20 0.41
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 3/20 0.40
AGTR1 P30556 1/20 0.40
GAA P10253 3/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
GLS O94925 1/20 0.37
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
P2RX7 Q99572 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
Hydrochloric Acid SCHEMBL6423223 0.98 ALDH1A1 (0.61) ALDH1A1APAF1ATMHPGDNPSR1
SCHEMBL1855322 0.88 ALDH1A1 (0.50) ALDH1A1APAF1ATMHPGDNPSR1
SCHEMBL6920216 0.79 APAF1 (0.50) ALDH1A1APAF1ATMHPGDNPSR1
SCHEMBL1850785 0.76 APAF1 (0.47) ALDH1A1APAF1ATMHPGDNPSR1
SCHEMBL2943809 0.76 HPGD (0.52) ALDH1A1APAF1ATMHPGDNPSR1
SCHEMBL16441688 0.76 APAF1 (0.44) ALDH1A1APAF1ATMHPGDNPSR1
SCHEMBL13177328 0.76 APAF1 (0.50) ALDH1A1APAF1ATMHPGDNPSR1
SCHEMBL8660934 0.74 APAF1 (0.53) ALDH1A1APAF1ATMHPGDNPSR1
SCHEMBL13117395 0.73 APAF1 (0.45) ALDH1A1APAF1ATMHPGDNPSR1
SCHEMBL2588908 0.71 APAF1 (0.50) ALDH1A1APAF1ATMHPGDNPSR1

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 3 patents. 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
EP-1465871-A1 PYRAZOLE DERIVATIVES FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR Bayer Corporation (US) 2004-10-13 EP disclosed
WO-2003057673-A1 1H-PYRAZOLYL DERIVATIVE COMPOUNDS, FOR USE IN DISEASES ASSOCIATED WITH THE 5-HT2C RECEPTOR BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-17 WO 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 ALDH1A1 3508/4885APAF1 3381/4885ATM 2894/4885

“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.