SCHEMBL16299407

SCHEMBL16299407

CCCN(CC)C1Cc2ccccc2C1

nearest known ligand 0.85

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 3/20 0.85
▸ HTR1A P08908 1/20 0.67
▸ DRD2 P14416 1/20 0.60
▸ FYN P06241 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL8688812 0.92 DRD3 (1.00) DRD3HTR1ADRD2FYNSIGMAR1
SCHEMBL12006562 0.88 DRD3 (0.70) DRD3HTR1ADRD2SIGMAR1
SCHEMBL9285858 0.82 DRD3 (0.74) DRD3HTR1ADRD2FYNSIGMAR1
SCHEMBL4047168 0.81 DRD3 (0.77) DRD3HTR1ADRD2FYNSIGMAR1
SCHEMBL28699255 0.81 DRD3 (0.77) DRD3HTR1ADRD2FYN
SCHEMBL9359278 0.80 HTR1A (1.00) DRD3HTR1ADRD2
SCHEMBL31558065 0.80 HTR1A (1.00) DRD3HTR1ADRD2
SCHEMBL29362760 0.80 DRD3 (0.75) DRD3HTR1ADRD2
Hydrochloric Acid SCHEMBL29064041 0.79 HTR1A (0.97) DRD3HTR1ADRD2
SCHEMBL20257791 0.78 DRD3 (0.69) DRD3HTR1ADRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427425-B1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS INC (US) 2017-03-08 — — EP disclosed
US-9315451-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2016-04-19 — — US disclosed
US-20120135968-A1 Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-31 — — US 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-20120135968-A1 Tetracycline Compounds TUBB, TUBA1C, TUBA1A DRD3 3818/4885HTR1A 2762/4885DRD2 4124/4885

“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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