SCHEMBL20148797

SCHEMBL20148797

CC(C)c1cccc2c1CCC(=O)N2C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
MGLL Q99685 1/20 0.41
TRPV1 Q8NER1 8/20 0.38
ALOX15 P16050 1/20 0.38
HTR1A P08908 2/20 0.37
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 0.37
BRPF1 P55201 1/20 0.37
DPP4 P27487 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
BRD4 O60885 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRA1 P14867 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
SCHEMBL13533089 0.85 FAAH (0.42) FAAHMGLLTRPV1ALOX15BRPF1
SCHEMBL19755649 0.82 SMN1; SMN2 (0.47) FAAHMGLLTRPV1ALOX15DPP4
SCHEMBL24265979 0.80 FAAH (0.34) FAAHMGLLTRPV1DPP4CA1
SCHEMBL21887105 0.80 FAAH (0.38) FAAHMGLLTRPV1ALOX15DPP4
SCHEMBL20353984 0.80 ATAD2 (0.42) FAAHMGLLALOX15BRD4CYP1A2
SCHEMBL424738 0.77 NOTUM (0.47) TRPV1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL3600670 0.77 TRPV1 (0.40) TRPV1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL16110071 0.77 TRPV1 (0.40) MGLLTRPV1HTR1AHTR1DHTR1B
SCHEMBL25732820 0.76 HTR1A (0.45) TRPV1HTR1AHTR1DHTR1BSLC6A4
SCHEMBL9653024 0.76 TRPV1 (0.42) TRPV1HTR1AHTR1DHTR1BSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof PHARMAKEA, INC. (US) 2021-07-27 US disclosed
EP-3265445-B1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA INC (US) 2021-05-05 EP disclosed
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. 2020-04-16 US disclosed
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 US disclosed
US-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER GILEAD SCIENCES, INC. 2018-05-17 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 (3 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-20180133212-A1 COMBINATION OF A BCL-2 INHIBITOR AND A BROMODOMAIN INHIBITOR FOR TREATING CANCER BCL2, BAK1, BRD4 FAAH 3158/4885MGLL 2990/4885TRPV1 4725/4885
US-20200115341-A1 FLUORINATED LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF LOXL2, LOXL1, LOX FAAH 343/4885MGLL 23/4885TRPV1 3855/4885
US-11072585-B2 Fluorinated lysyl oxidase-like 2 inhibitors and uses thereof LOXL2, LOXL1, LOX FAAH 343/4885MGLL 23/4885TRPV1 3855/4885

“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.