SCHEMBL3601780

SCHEMBL3601780

Nc1cccc2c1NC(=O)C(N1CCCC1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
CRBN Q96SW2 6/20 0.40
RAB9A P51151 1/20 0.38
DDB1 Q16531 4/20 0.36
TNF P01375 2/20 0.36
IL1B P01584 2/20 0.36
IKZF1 Q13422 2/20 0.36
IKZF3 Q9UKT9 2/20 0.36
TBXA2R P21731 1/20 0.36
CHRNA7 P36544 1/20 0.35
ALDH1A1 P00352 4/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
APEX1 P27695 1/20 0.35

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
SCHEMBL3595638 0.99 TSHR (0.46) TSHRDRD2DRD4CRBNRAB9A
SCHEMBL3604103 0.89 CRBN (0.41) TSHRDRD2DRD4CRBNRAB9A
SCHEMBL3593851 0.89 DRD2 (0.41) TSHRDRD2DRD4CRBNRAB9A
SCHEMBL3599721 0.89 DRD2 (0.39) TSHRDRD2DRD4CRBNRAB9A
SCHEMBL3594130 0.88 POLB (0.39) DRD2DRD4CRBNRAB9ADDB1
SCHEMBL3597120 0.88 ALDH1A1 (0.39) TSHRDRD2DRD4CRBNRAB9A
SCHEMBL3607361 0.87 MEN1 (0.40) DRD2DRD4CRBNRAB9ADDB1
SCHEMBL3595928 0.87 DRD2 (0.37) TSHRDRD2DRD4CRBNRAB9A
SCHEMBL3599656 0.83 CRBN (0.37) DRD2DRD4CRBNRAB9ADDB1
SCHEMBL3590133 0.83 CRBN (0.41) DRD2DRD4CRBNRAB9ADDB1

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 TSHR 1731/4885DRD2 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.