SCHEMBL4699181

SCHEMBL4699181

COC(=O)CC1(c2ccc(F)cc2)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
RORC P51449 5/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC1 Q13547 1/20 0.46
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
CNR2 P34972 2/20 0.42
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
HSD11B1 P28845 1/20 0.41
CCR5 P51681 1/20 0.41
CNR1 P21554 1/20 0.41

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
SCHEMBL20902165 0.88 MEN1 (0.49) TACR1CNR2TSHRMEN1KMT2A
SCHEMBL4159626 0.88 HSD11B1 (0.56) TACR1RORCHDAC2HDAC1JAK2
SCHEMBL2427295 0.85 TACR1 (0.51) TACR1RORCHDAC2HDAC1JAK2
SCHEMBL4704330 0.85 TACR1 (0.43) TACR1RORCHDAC2HDAC1JAK2
SCHEMBL3327426 0.84 TACR1 (0.50) TACR1RORCHDAC2HDAC1JAK2
SCHEMBL1206023 0.81 TACR1 (0.53) TACR1RORCTSHRALOX15ATM
SCHEMBL2519801 0.81 RORC (0.52) TACR1RORCHDAC2HDAC1JAK2
SCHEMBL18618022 0.81 RORC (0.49) TACR1RORCHDAC2HDAC1
SCHEMBL31382020 0.80 TSHR (0.51) RORCHDAC2HDAC1JAK2JAK1
SCHEMBL3264110 0.79 RORC (0.49) TACR1RORCHDAC2HDAC1JAK2

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
US-20080262041-A1 Beta-Lactams for Treatment of Cns Disorders GLAXO GROUP LIMITED (GB) 2008-10-23 US disclosed
EP-1689737-B1 BETA-LACTAMS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LTD (GB) 2008-07-16 EP disclosed
EP-1689737-A1 BETA-LACTAMS FOR THE TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2006-08-16 EP disclosed
WO-2005049600-A1 BETA-LACTAMS FOR TREATMENT OF CNS DISORDERS GLAXO GROUP LIMITED (GB) 2005-06-02 WO 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-20080262041-A1 Beta-Lactams for Treatment of Cns Disorders SLC7A1, TPH1, CHRNA10 TACR1 96/4885RORC 4384/4885HDAC2 3246/4885

“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.