SCHEMBL3584531

SCHEMBL3584531

[NH]c1ccc2c(c1)NC(=O)C(N1CCOCC1)C2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.48
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
POLB P06746 2/20 0.37
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX15 P16050 1/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3601998 0.90 DRD2 (0.43) TRPV1DRD2DRD4POLBALDH1A1
SCHEMBL3601332 0.86 TSHR (0.46) TRPV1DRD2DRD4ALDH1A1KMT2A
SCHEMBL3602345 0.85 DRD2 (0.41) TRPV1DRD2DRD4ALDH1A1KMT2A
SCHEMBL3602308 0.85 DRD2 (0.41) TRPV1DRD2DRD4ALDH1A1KMT2A
SCHEMBL3588943 0.85 DRD2 (0.44) TRPV1DRD2DRD4ALDH1A1KMT2A
SCHEMBL3583049 0.84 TRPV1 (0.48) TRPV1DRD2DRD4POLBALDH1A1
SCHEMBL3588007 0.84 DRD2 (0.40) TRPV1DRD2DRD4ALDH1A1KMT2A
SCHEMBL3600124 0.83 KMT2A (0.40) TRPV1DRD2DRD4ALDH1A1KMT2A
SCHEMBL3596536 0.83 DRD2 (0.40) TRPV1DRD2DRD4ALDH1A1KMT2A
SCHEMBL13383408 0.81 TRPV1 (0.55) TRPV1DRD2DRD4POLBALDH1A1

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

“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.