SCHEMBL3588007

SCHEMBL3588007

[NH]c1ccc2c(c1)NC(=O)C(N1CCSCC1)C2

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
TRPV1 Q8NER1 6/20 0.38
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3601359 0.92 DRD2 (0.37) DRD2DRD4TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3606189 0.90 DRD2 (0.43) DRD2DRD4TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3601332 0.86 TSHR (0.46) DRD2DRD4TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3602345 0.85 DRD2 (0.41) DRD2DRD4TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3588943 0.85 DRD2 (0.44) DRD2DRD4TRPV1ALDH1A1LMNA
SCHEMBL3602308 0.85 DRD2 (0.41) DRD2DRD4TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3588009 0.84 CA9 (0.42) DRD2DRD4TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3584531 0.84 TRPV1 (0.48) DRD2DRD4TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3600124 0.83 KMT2A (0.40) DRD2DRD4TRPV1ALDH1A1SMN1; SMN2
SCHEMBL3596536 0.83 DRD2 (0.40) DRD2DRD4TRPV1ALDH1A1SMN1; SMN2

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 DRD2 530/4885DRD4 795/4885TRPV1 2518/4885

“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.