SCHEMBL3600796

SCHEMBL3600796

Nc1ccc2c(c1)NC(=O)C(N1CCCCC1)C2

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CA9 Q16790 1/20 0.44
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
TRPV1 Q8NER1 3/20 0.39
CRBN Q96SW2 3/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 4/20 0.37
DDB1 Q16531 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PARP1 P09874 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL3597005 0.99 CA9 (0.45) TSHRCA9DRD2DRD4TRPV1
SCHEMBL3580791 0.89 TSHR (0.46) TSHRCA9DRD2DRD4CRBN
SCHEMBL3588944 0.88 DRD2 (0.44) CA9DRD2DRD4TRPV1CRBN
SCHEMBL3602346 0.88 CA9 (0.43) CA9DRD2DRD4TRPV1CRBN
SCHEMBL3602310 0.88 CA9 (0.47) TSHRCA9DRD2DRD4TRPV1
SCHEMBL3604609 0.87 TRPV1 (0.51) TSHRCA9DRD2DRD4TRPV1
SCHEMBL3594463 0.87 DRD2 (0.45) TSHRCA9DRD2DRD4CRBN
SCHEMBL3583049 0.86 TRPV1 (0.48) TSHRCA9DRD2DRD4TRPV1
SCHEMBL3588009 0.86 CA9 (0.42) CA9DRD2DRD4TRPV1CRBN
SCHEMBL3600127 0.85 CA9 (0.41) CA9DRD2DRD4TRPV1CRBN

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 4 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
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
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 1731/4885CA9 1531/4885DRD2 530/4885

“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.