SCHEMBL3588020

SCHEMBL3588020

CN1C(=O)CCc2cccc([NH])c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.45
MAP2K1 Q02750 1/20 0.40
HTR1A P08908 1/20 0.37
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP19A1 P11511 1/20 0.35
SRD5A2 P31213 1/20 0.35
CYP2A6 P11509 1/20 0.34
BRD4 O60885 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
CHRM3 P20309 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
CES1 P23141 2/20 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
SCHEMBL10889128 0.80 SRD5A1 (0.46) SRD5A1MAP2K1HTR1ACYP11B1CYP11B2
SCHEMBL8555101 0.80 SRD5A1 (0.46) SRD5A1MAP2K1HTR1ACYP11B1CYP11B2
SCHEMBL10889135 0.79 SRD5A1 (0.45) SRD5A1MAP2K1HTR1ACYP11B1CYP11B2
SCHEMBL11270465 0.79 NOTUM (0.49) SRD5A1MAP2K1HTR1ACYP11B1CYP11B2
SCHEMBL3588021 0.79 SRD5A1 (0.45) SRD5A1MAP2K1HTR1ACYP11B1CYP11B2
SCHEMBL8551856 0.79 SRD5A1 (0.45) SRD5A1MAP2K1HTR1ACYP11B1CYP11B2
SCHEMBL11272489 0.79 SRD5A1 (0.45) SRD5A1MAP2K1HTR1ACYP11B1CYP11B2
SCHEMBL96857 0.76 AADAT (0.48) SRD5A1CYP11B1CYP11B2CYP19A1DRD2
SCHEMBL3587653 0.76 POLB (0.38) MAP2K1CHRM2CHRM4CHRM5CHRM1
SCHEMBL21483549 0.75 SRD5A1 (0.42) SRD5A1MAP2K1HTR1ACYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 SRD5A1 166/4885MAP2K1 1707/4885HTR1A 1118/4885

“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.