SCHEMBL18239303

SCHEMBL18239303

C[C@H](c1ccc(F)cc1)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ACHE P22303 1/20 0.38
SLC6A2 P23975 6/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
IDO1 P14902 1/20 0.35
CHRM1 P11229 5/20 0.35
DRD3 P35462 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HRH1 P35367 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
KCNH2 Q12809 1/20 0.34
CSNK1D P48730 1/20 0.34
MAPK14 Q16539 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
SCHEMBL19200332 0.86 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CHRM1DRD3
SCHEMBL16269909 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CHRM1DRD3
SCHEMBL12473621 0.82 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3CHRM1DRD3
SCHEMBL17086550 0.81 BCL2A1 (0.49) SLC6A2SLC6A4SLC6A3CHRM1ALDH1A1
SCHEMBL21254366 0.81 BCL2A1 (0.49) SLC6A2SLC6A4SLC6A3CHRM1ALDH1A1
SCHEMBL21949437 0.81 SLC6A2 (0.36) KDM4ESLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL20385344 0.81 GAA (0.39) IDO1CYP2D6TSHRCYP2C19ALDH1A1
SCHEMBL18239294 0.81 GAA (0.39) IDO1CYP2D6TSHRCYP2C19ALDH1A1
SCHEMBL16024187 0.79 CHRM2 (0.47) KDM4ESLC6A2SLC6A4SLC6A3CHRM1
SCHEMBL8309312 0.78 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3294739-B1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2019-07-31 EP disclosed
US-9725449-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-08 US disclosed
WO-2016183118-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-11-17 WO disclosed
US-20160333013-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2016-11-17 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 (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-20160333013-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MCL1, TP53, TOP2A KDM4E 1736/4885ACHE 1747/4885SLC6A2 3408/4885

“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.