SCHEMBL21726317

SCHEMBL21726317

CCNC(=O)C1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.56
KCNH2 Q12809 1/20 0.54
CACNA1I Q9P0X4 1/20 0.54
HDAC1 Q13547 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
LMNA P02545 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TRPA1 O75762 4/20 0.47
HDAC4 P56524 2/20 0.46
ALDH1A1 P00352 1/20 0.46
P2RX7 Q99572 1/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ERCC1 P07992 1/20 0.45
ERCC4 Q92889 1/20 0.45
IDO1 P14902 1/20 0.44

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
SCHEMBL2858456 0.85 ERCC1 (0.58) HSD11B1KCNH2CACNA1IHDAC1SMN1; SMN2
SCHEMBL17285705 0.85 HDAC4 (0.65) HSD11B1KCNH2HDAC1SMN1; SMN2HTT
SCHEMBL14067363 0.84 SMN1; SMN2 (0.68) HDAC1SMN1; SMN2HTTLMNANPSR1
SCHEMBL3521822 0.83 HDAC1 (0.55) HSD11B1KCNH2CACNA1IHDAC1SMN1; SMN2
SCHEMBL2863340 0.82 KMT2A (0.55) HSD11B1KCNH2CACNA1IHDAC1SMN1; SMN2
SCHEMBL13448598 0.81 HDAC1 (0.56) HSD11B1KCNH2CACNA1IHDAC1SMN1; SMN2
SCHEMBL2844463 0.81 HDAC4 (0.70) HSD11B1HDAC1HDAC4P2RX7
SCHEMBL24181164 0.81 SMN1; SMN2 (0.55) HSD11B1KCNH2CACNA1IHDAC1SMN1; SMN2
SCHEMBL20060916 0.80 SMN1; SMN2 (0.65) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL2854860 0.79 SMN1; SMN2 (0.62) HSD11B1SMN1; SMN2HTTTRPA1HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARAMCEUTICALS INC. (US) 2020-02-18 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 (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-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 HSD11B1 919/4885KCNH2 430/4885CACNA1I 726/4885

“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.