SCHEMBL21894564

SCHEMBL21894564

CC(=O)N1CCN(c2cc(Cl)cc3[nH]ncc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.47
NCF1 P14598 2/20 0.45
TRPV1 Q8NER1 7/20 0.44
MAPT P10636 1/20 0.43
GOT1 P17174 1/20 0.42
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA2 P54646 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
RPS6KB1 P23443 1/20 0.41
CHEK1 O14757 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
GRIA1 P42261 1/20 0.39
SMO Q99835 1/20 0.39

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
SCHEMBL17739111 0.95 ACLY (0.44) CLK1NCF1TRPV1MAPTGOT1
SCHEMBL17738585 0.89 MEN1 (0.44) CLK1CHEK1IDO1TDO2
SCHEMBL17738872 0.87 TRPV1 (0.44) TRPV1GOT1RPS6KB1IDO1TDO2
SCHEMBL17739170 0.87 CYP2C9 (0.45) CHEK1IDO1TDO2
SCHEMBL17738811 0.86 TRPV1 (0.49) TRPV1GOT1RPS6KB1
SCHEMBL17738569 0.86 CYP3A4 (0.45) TRPV1MAPTGOT1SMO
SCHEMBL22057189 0.86 TRPV1 (0.44) TRPV1GOT1RPS6KB1IDO1TDO2
SCHEMBL17738817 0.86 GOT1 (0.43) CLK1TRPV1GOT1RPS6KB1IDO1
SCHEMBL17738881 0.86 TSHR (0.47) TRPV1MAPTGOT1
SCHEMBL17738580 0.86 CYP11B1 (0.43) IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130738-B2 Pharmaceutical compound IOMET PHARMA LTD. (GB) 2021-09-28 US disclosed
US-20200172492-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2020-06-04 US disclosed
US-10590086-B2 Pharmaceutical compound IOMET PHARMA LTD. (GB) 2020-03-17 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 (3 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-11130738-B2 Pharmaceutical compound IDO1, TDO2, IDO2 CLK1 3348/4885NCF1 3371/4885TRPV1 3090/4885
US-20200172492-A1 PHARMACEUTICAL COMPOUND IDO1, TDO2, IDO2 CLK1 3348/4885NCF1 3371/4885TRPV1 3090/4885
US-10590086-B2 Pharmaceutical compound IDO1, TDO2, IDO2 CLK1 3348/4885NCF1 3371/4885TRPV1 3090/4885

“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.