SCHEMBL3596748

SCHEMBL3596748

[NH]c1ccc2c(c1)NC(=O)C(N1CC[C@H](F)C1)C2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 3/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 2/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CRBN Q96SW2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PARP1 P09874 2/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL3604442 0.90 DRD2 (0.39) TRPV1DRD2DRD4KMT2AALDH1A1
SCHEMBL3602518 0.86 TRPV1 (0.36) TRPV1DRD2DRD4KMT2AALDH1A1
SCHEMBL13545482 0.85 CRBN (0.41) TRPV1DRD2DRD4KMT2AALDH1A1
SCHEMBL3596750 0.85 CRBN (0.41) TRPV1DRD2DRD4KMT2AALDH1A1
SCHEMBL3600124 0.84 KMT2A (0.40) TRPV1DRD2DRD4KMT2AALDH1A1
SCHEMBL13382921 0.82 TRPV1 (0.43) TRPV1DRD2DRD4KMT2AALDH1A1
SCHEMBL3601332 0.82 TSHR (0.46) TRPV1DRD2DRD4KMT2AALDH1A1
SCHEMBL3588943 0.81 DRD2 (0.44) TRPV1DRD2DRD4KMT2AALDH1A1
SCHEMBL3602345 0.81 DRD2 (0.41) TRPV1DRD2DRD4KMT2AALDH1A1
SCHEMBL3602308 0.81 DRD2 (0.41) TRPV1DRD2DRD4KMT2AALDH1A1

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.