SCHEMBL10197813

SCHEMBL10197813

CCN1CCC(C)(C(=O)Nc2cccc(-c3ccc4c(c3)CC(C(=O)NO)CC4)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.39
GHSR Q92847 1/20 0.39
TP53BP1 Q12888 2/20 0.38
MCHR1 Q99705 1/20 0.38
POLB P06746 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALPL P05186 2/20 0.36
ALPI P09923 2/20 0.36
ALPG P10696 1/20 0.36
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
ABL1 P00519 1/20 0.36
RIN1 Q13671 1/20 0.36
GRIA2 P42262 1/20 0.36
ACKR3 P25106 1/20 0.35

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
SCHEMBL436430 0.88 GHSR (0.42) DRD2GHSRMCHR1KMT2AOPRM1
SCHEMBL346564 0.88 KMT2A (0.47) GHSRPOLBKMT2AMEN1ALPL
SCHEMBL346787 0.84 GRIA2 (0.40) GHSRTP53BP1MCHR1KMT2AMEN1
SCHEMBL460073 0.83 HDAC1 (0.41) GHSRMCHR1POLBGRIA2
SCHEMBL10197879 0.83 GSK3B (0.41) ABL1
SCHEMBL434259 0.82 F10 (0.39) GHSRTP53BP1MCHR1GRIA2
SCHEMBL10197667 0.80 GRIA2 (0.53) GHSRPOLBGRIA2
SCHEMBL346350 0.80 MAPK1 (0.48) GHSRPOLBKMT2AALPLALPI
SCHEMBL346599 0.80 GHSR (0.41) GHSRTP53BP1POLBKMT2AALPL
SCHEMBL346515 0.79 DGAT1 (0.43) GHSRPOLBGRIA2

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
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US 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 2431/4885GHSR 1236/4885TP53BP1 4566/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 DRD2 1767/4885GHSR 2184/4885TP53BP1 4605/4885

“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.