SCHEMBL353908

SCHEMBL353908

COC(=O)c1ccc2c(c1)CCC(N)C2

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.54
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50

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
Hydrochloric Acid SCHEMBL353391 0.99 OPRK1 (0.53) OPRK1DRD2DRD3
SCHEMBL355227 0.94 DRD2 (0.57) OPRK1DRD2DRD3
SCHEMBL10247342 0.94 DRD2 (0.57) OPRK1DRD2DRD3
SCHEMBL10247424 0.94 DRD2 (0.57) OPRK1DRD2DRD3
Hydrochloric Acid SCHEMBL354592 0.93 DRD2 (0.56) OPRK1DRD2DRD3
Hydrochloric Acid SCHEMBL354608 0.93 DRD2 (0.56) OPRK1DRD2DRD3
Hydrochloric Acid SCHEMBL353594 0.93 DRD2 (0.56) OPRK1DRD2DRD3
SCHEMBL24650415 0.88 KDM4E (0.47)
SCHEMBL4637133 0.88 KDM4E (0.47)
SCHEMBL353154 0.84 CHRNB2 (0.44) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556311-B2 Polyimide precursor composition, article prepared by using same, and display device including the article SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-01-31 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140024786-A1 POLYIMIDE PRECURSOR COMPOSITION, ARTICLE PREPARED BY USING SAME, AND DISPLAY DEVICE INCLUDING THE ARTICLE SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-01-23 US disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012322-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 OPRK1 2457/4885DRD2 2063/4885DRD3 2383/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 OPRK1 2819/4885DRD2 1964/4885DRD3 2036/4885

“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.