SCHEMBL4889972

SCHEMBL4889972

CCCCC(N)COC(=O)C(O)C(O)C(=O)OCC(N)CCCC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
ALDH1A1 P00352 1/20 0.38
S1PR2 O95136 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR4 O95977 4/20 0.37
DPP7 Q9UHL4 1/20 0.37
SLC15A1 P46059 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.36

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
SCHEMBL27795491 0.82 CA1 (0.44) CA1CA2TSHRCYP3A4ATM
SCHEMBL28506412 0.81 PLA2G1B (0.39) TSHRCYP3A4ALDH1A1
SCHEMBL27622529 0.81 TSHR (0.47) CA1CA2TSHRCYP3A4ATM
SCHEMBL11770776 0.79 ALOX15 (0.37) SLC1A3SLC1A2SLC1A1
SCHEMBL3365888 0.78 S1PR2 (0.46) CA1CA2SLC1A2SLC1A1ALDH1A1
SCHEMBL1232704 0.77 CYP3A4 (0.66) CA1CA2TSHRCYP3A4ATM
SCHEMBL7103472 0.77 ALDH1A1 (0.47) SLC1A2SLC1A1ALDH1A1S1PR2S1PR1
SCHEMBL6056619 0.77 TSHR (0.52) CA1CA2TSHRCYP3A4ATM
SCHEMBL9643329 0.77 TSHR (0.66) CA1CA2TSHRCYP3A4ATM
SCHEMBL27617597 0.74 MAPT (0.46) TSHRCYP3A4ATMTDP1ALDH1A1

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-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use ETHISMOS RESEARCH, INC. 2008-08-14 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-20080194696-A1 Novel Arylbicyclo[3.1.0]Hexylamines And Methods And Compositions For Their Preparation And Use HTR2C, HTR1B, HTR3C CA1 3152/4885CA2 4699/4885TSHR 1079/4885

“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.