SCHEMBL435822

SCHEMBL435822

CCN1CCC(C)(NC(=O)c2cc3c(cc2C)CCC(C(=O)NO)C3)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
SMYD3 Q9H7B4 4/20 0.31
CCR3 P51677 1/20 0.31
ALDH1A1 P00352 1/20 0.31
OPRL1 P41146 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
PLD2 O14939 1/20 0.30
PLD1 Q13393 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
CNR2 P34972 2/20 0.30

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
SCHEMBL461785 0.85 HDAC8 (0.41) OPRM1OPRD1OPRK1
SCHEMBL459911 0.76 MCHR1 (0.38) MMP1MMP9MMP13MAPTKMT2A
SCHEMBL436430 0.70 GHSR (0.42) DRD2OPRM1OPRD1OPRK1KMT2A
SCHEMBL20205890 0.69 MAPT (0.47) DRD2CCR3ALDH1A1MMP1MMP9
SCHEMBL21652023 0.69 CCR3 (0.49) DRD2CCR3ALDH1A1KDM4EMAPT
SCHEMBL21651991 0.69 CCR3 (0.49) DRD2CCR3
SCHEMBL10197813 0.68 DRD2 (0.39) DRD2OPRM1OPRD1OPRK1MEN1
SCHEMBL25503767 0.68 MCHR1 (0.47) CCR3ALDH1A1MMP1MMP9MMP13
SCHEMBL10197879 0.67 GSK3B (0.41)
SCHEMBL435989 0.66 CCR2 (0.46) ALDH1A1KDM4E

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 DRD2 2431/4885OPRM1 3662/4885OPRD1 1658/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 DRD2 1767/4885OPRM1 3471/4885OPRD1 1478/4885

“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.