SCHEMBL18011073

SCHEMBL18011073

N#Cc1ccc2[nH]cc(CC=O)c2c1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 9/20 0.56
▸ DRD2 P14416 5/20 0.49
▸ DRD4 P21917 5/20 0.49
▸ DRD3 P35462 5/20 0.49
▸ HTR1A P08908 1/20 0.45

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
SCHEMBL3084283 0.83 SLC6A4 (0.64) SLC6A4HTR1A
SCHEMBL13226846 0.83 SLC6A4 (0.63) SLC6A4DRD2DRD4DRD3
SCHEMBL29005985 0.82 SLC6A4 (0.62) SLC6A4DRD2DRD4DRD3
SCHEMBL15587215 0.82 SLC6A4 (0.63) SLC6A4HTR1A
SCHEMBL28481587 0.81 SLC6A4 (0.52) SLC6A4DRD2DRD4DRD3
SCHEMBL24328228 0.80 SLC6A4 (0.59) SLC6A4DRD2DRD4DRD3
SCHEMBL29985571 0.80 SLC6A4 (0.59) SLC6A4DRD2DRD4DRD3
SCHEMBL24688682 0.80 SLC6A4 (0.59) SLC6A4DRD2DRD4DRD3
SCHEMBL4485828 0.78 TSHR (0.64) SLC6A4DRD2DRD4DRD3
SCHEMBL8136598 0.77 SLC6A4 (0.64) SLC6A4DRD2DRD4DRD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104418842-B Substituted benzazolyl compounds and its application method and purposes 广东东阳光药业有限公司 2019-01-04 — — CN disclosed
US-9714232-B2 Substituted piperazine compounds and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-07-25 — — US disclosed
CN-104725359-B Substituted piperazine compound as well as application method and application thereof 广东东阳光药业有限公司 2017-05-03 — — CN disclosed
US-20160244429-A1 Substituted Piperazine Compounds And Methods Of Use Thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-25 — — US disclosed
CN-104725359-A Substituted piperazine compound as well as application method and application thereof GUANGDONG HEC PHARMACEUTICAL 2015-06-24 — — CN disclosed
CN-104418842-A Substituted indole compound and using method and application thereof GUANGDONG HEC PHARMACEUTICAL 2015-03-18 — — CN 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-20160244429-A1 Substituted Piperazine Compounds And Methods Of Use Thereof HTR5A, HTR2A, HTR2C SLC6A4 19/4885DRD2 88/4885DRD4 147/4885

“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.

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