SCHEMBL2429768

SCHEMBL2429768

CC(C)N1CCN(c2ccccc2C=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 1/20 0.54
▸ HRH3 Q9Y5N1 6/20 0.42
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KCNH2 Q12809 2/20 0.40
▸ HDAC4 P56524 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL29265602 0.81 F2 (0.42) MC4RHRH3GAAKDM4EALDH1A1
SCHEMBL31376167 0.81 ADRA2C (0.55) MC4RALDH1A1MAPTHDAC4MEN1
SCHEMBL414216 0.81 ADRA2C (0.55) MC4RALDH1A1MAPTHDAC4MEN1
SCHEMBL4737854 0.81 ALDH1A1 (0.46) MC4RHRH3GAAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5154521 0.79 ADRA2C (0.53) MC4RALDH1A1MAPTHDAC4MEN1
SCHEMBL23064633 0.78 MEN1 (0.48) MC4RGAAALDH1A1MAPTMEN1
SCHEMBL3220834 0.78 ALDH1A1 (0.50) GAAKDM4EALDH1A1MAPTMEN1
SCHEMBL27978816 0.77 ALDH1A1 (0.47) ALDH1A1MAPTMEN1LMNATHRB
SCHEMBL28452171 0.77 KEAP1 (0.52) GAAKDM4EALDH1A1MAPTMEN1
SCHEMBL31167266 0.77 KEAP1 (0.52) GAAKDM4EALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 — — US disclosed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 — — 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 (2 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 MC4R 3142/4885HRH3 4808/4885GAA 525/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 MC4R 3051/4885HRH3 4833/4885GAA 611/4885

“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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