SCHEMBL3667017

SCHEMBL3667017

CCCN(Cc1ccccc1)C(=O)COC

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
TRPM8 Q7Z2W7 1/20 0.51
LMNA P02545 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
REN P00797 1/20 0.48
CNR2 P34972 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46

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
SCHEMBL13450967 0.86 ALDH1A1 (0.57) ALDH1A1TRPM8LMNAL3MBTL1REN
SCHEMBL2721394 0.82 REN (0.69) ALDH1A1LMNAPKMHDAC1HDAC6
SCHEMBL574486 0.81 LMNA (0.61) ALDH1A1LMNAPKMHDAC1HDAC6
SCHEMBL11429803 0.79 LMNA (0.57) ALDH1A1TRPM8LMNAL3MBTL1PKM
SCHEMBL8079713 0.79 NPC1 (0.48) TRPM8LMNAL3MBTL1
SCHEMBL3662061 0.78 LMNA (0.58) ALDH1A1LMNAPKMHDAC1HDAC6
SCHEMBL27357692 0.78 LTB4R2 (0.56) ALDH1A1LMNAL3MBTL1HDAC1HDAC6
SCHEMBL14759143 0.77 HPGD (0.48) ALDH1A1TRPM8LMNAL3MBTL1
SCHEMBL1926269 0.77 HDAC1 (0.73) ALDH1A1LMNAL3MBTL1PKMHDAC1
SCHEMBL13256444 0.77 RAB9A (0.71) ALDH1A1L3MBTL1

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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 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 (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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP ALDH1A1 2461/4885TRPM8 2819/4885LMNA 705/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP ALDH1A1 2461/4885TRPM8 2819/4885LMNA 705/4885

“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.