SCHEMBL681089

SCHEMBL681089

C=CCNCC1CCC(CC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
SLC6A1 P30531 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRB2 P47870 2/20 0.37
SLC6A12 P48065 2/20 0.37
SLC6A11 P48066 2/20 0.37
SLC6A13 Q9NSD5 2/20 0.37
GABRA1 P14867 1/20 0.37
GABRR1 P24046 1/20 0.37
GABRA4 P48169 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31

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
SCHEMBL681090 1.00 KMT2A (0.41) KMT2AANPEPENPEPSLC6A1GABRA5
SCHEMBL17291834 0.85 KMT2A (0.41) KMT2ATDP1MAPTALDH1A1TSHR
SCHEMBL2712275 0.85
SCHEMBL9406866 0.78 ANPEP (0.43) KMT2AANPEPENPEPSLC6A1GABRA5
SCHEMBL12227361 0.78 ANPEP (0.43) KMT2AANPEPENPEPSLC6A1GABRA5
SCHEMBL9406864 0.78 ANPEP (0.43) KMT2AANPEPENPEPSLC6A1GABRA5
SCHEMBL10475292 0.77 ADH1B (0.46) KMT2AALDH1A1ADH1BADH1CADH1A
SCHEMBL10399362 0.76 KMT2A (0.35) KMT2ATDP1ALDH1A1NPSR1
SCHEMBL24483431 0.76 ANPEP (0.56) ANPEPENPEPSLC6A1GABRA5GABRB2
SCHEMBL24197646 0.76 ANPEP (0.56) ANPEPENPEPSLC6A1GABRA5GABRB2

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-8841478-B2 Method for preparing trans-{4-[(alkylamino) methyl]- cyclohexyl}acetic acid ester KOWA COMPANY, LTD. (JP) 2014-09-23 US disclosed
US-20110288328-A1 METHOD FOR PREPARING TRANS-ACETIC ACID ESTER KOWA COMPANY, LTD. (JP) 2011-11-24 US disclosed
EP-2383253-A1 METHOD FOR MANUFACTURING TRANS-{4-Ý(ALKYL AMINO) METHYL¨CYCLOHEXYL} ACETIC ESTER Kowa Company, Ltd. (JP) 2011-11-02 EP 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-20110288328-A1 METHOD FOR PREPARING TRANS-ACETIC ACID ESTER ACSL6, ACSL3, ACSL1 KMT2A 4068/4885ANPEP 2040/4885ENPEP 1112/4885

“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.