SCHEMBL20408754

SCHEMBL20408754

Cc1ccc(C2COC[C@@H]2C)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FFAR1 O14842 1/20 0.39
MAPT P10636 2/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
ACHE P22303 1/20 0.35
CYP19A1 P11511 1/20 0.34
GRIA4 P48058 1/20 0.33

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
SCHEMBL20408746 1.00 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL13484242 1.00 HTR2A (0.41) HTR2AHTR2CHTR2BALDH1A1CYP1A2
SCHEMBL13484240 0.81 ESR2 (0.44) ALDH1A1ACHE
SCHEMBL13484238 0.81 ESR2 (0.44) ALDH1A1ACHE
SCHEMBL20408755 0.81 ESR2 (0.44) ALDH1A1ACHE
SCHEMBL20408752 0.81 HTR2A (0.40) HTR2AHTR2CHTR2BSLC6A2SLC6A4
SCHEMBL20408742 0.81 KDM1A (0.47) HTR2AHTR2CHTR2BATMSLC6A2
SCHEMBL17029480 0.80 TSHR (0.44) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL19775615 0.80 TSHR (0.44) HTR2AHTR2CHTR2BCYP1A2CYP3A4
SCHEMBL5019134 0.80 TSHR (0.44) HTR2AHTR2CHTR2BCYP1A2CYP3A4

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-20180207153-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KYORIN PHARMACEUTICAL CO., LTD. (JP) 2018-07-26 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-20180207153-A1 UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF FPR1, FPR2, SAAL1 HTR2A 2130/4885HTR2C 2364/4885HTR2B 1518/4885

“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.