SCHEMBL6417741

SCHEMBL6417741

CCOC(=O)c1n[nH]c(CC)c1Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ ALOX12 P18054 1/20 0.45
▸ CCR6 P51684 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HKDC1 Q2TB90 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ GABRA2 P47869 1/20 0.43
▸ GABRB2 P47870 1/20 0.43
▸ HCAR2 Q8TDS4 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
SCHEMBL23453747 0.87 AR (0.50) KDM4ELMNAMEN1ALDH1A1MAPT
SCHEMBL6418611 0.78 AR (0.49) KDM4ELMNAMEN1ALDH1A1MAPT
SCHEMBL3955623 0.76 HCAR2 (0.65) KDM4ELMNAMEN1ALDH1A1MAPT
SCHEMBL14511630 0.75 ALOX5 (0.49) KDM4ELMNAMEN1ALDH1A1MAPT
SCHEMBL22609219 0.75 KMT2A (0.46) KDM4ELMNAMEN1ALDH1A1MAPT
SCHEMBL22609228 0.75 HTT (0.48) KDM4ELMNAMEN1ALDH1A1MAPT
SCHEMBL16260378 0.75 AR (0.61) LMNAMEN1ALDH1A1HPGDKMT2A
SCHEMBL23453712 0.74 PDE3B (0.54) KDM4ELMNAMEN1MAPTKMT2A
SCHEMBL5568394 0.73 KDM4E (0.56) KDM4EPOLB
SCHEMBL15956881 0.73 HCAR2 (0.49) KDM4ELMNAMEN1ALDH1A1MAPT

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 KDM4E 297/4885LMNA 2143/4885MEN1 1217/4885

“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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