SCHEMBL10247342

SCHEMBL10247342

COC(=O)c1ccc2c(c1)C[C@H](N)CC2

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.57
DRD3 P35462 2/20 0.57
ACHE P22303 2/20 0.54
OPRK1 P41145 1/20 0.46
NFKB1 P19838 1/20 0.46
THPO P40225 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL355227 1.00 DRD2 (0.57) DRD2DRD3ACHEOPRK1NFKB1
SCHEMBL10247424 1.00 DRD2 (0.57) DRD2DRD3ACHEOPRK1NFKB1
Hydrochloric Acid SCHEMBL354608 0.99 DRD2 (0.56) DRD2DRD3ACHEOPRK1NFKB1
Hydrochloric Acid SCHEMBL354592 0.99 DRD2 (0.56) DRD2DRD3ACHEOPRK1NFKB1
Hydrochloric Acid SCHEMBL353594 0.99 DRD2 (0.56) DRD2DRD3ACHEOPRK1NFKB1
SCHEMBL353908 0.94 OPRK1 (0.54) DRD2DRD3OPRK1
Hydrochloric Acid SCHEMBL353391 0.93 OPRK1 (0.53) DRD2DRD3OPRK1
SCHEMBL6134937 0.89 DRD2 (0.52) DRD2DRD3ACHEOPRK1
SCHEMBL24650415 0.88 KDM4E (0.47) HSD17B10ALDH1A1MAPT
SCHEMBL4637133 0.88 KDM4E (0.47) HSD17B10ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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 DRD2 2063/4885DRD3 2383/4885ACHE 3488/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 DRD2 1964/4885DRD3 2036/4885ACHE 1462/4885

“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.