SCHEMBL9880254

SCHEMBL9880254

CC(C)c1[nH]c2ncnn2c(=O)c1C(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
KDM5B Q9UGL1 8/20 0.35
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
TLR9 Q9NR96 2/20 0.31
TLR8 Q9NR97 2/20 0.31
TLR7 Q9NYK1 2/20 0.31
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
POLB P06746 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
TP53 P04637 1/20 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
SCHEMBL20074188 0.84 TSHR (0.43) TSHRKDM5BTDP1ALDH1A1SIRT5
SCHEMBL20074090 0.83 TSHR (0.42) TSHRKDM5BTDP1ALDH1A1SIRT5
SCHEMBL20074277 0.77 KDM5B (0.42) TSHRKDM5BTDP1ALDH1A1MEN1
SCHEMBL20074337 0.77 KDM5B (0.44) TSHRKDM5BTDP1ALDH1A1SIRT5
SCHEMBL14007035 0.76 TSHR (0.40) TSHRTDP1
SCHEMBL20074331 0.76 KDM5B (0.43) TSHRKDM5BTDP1ALDH1A1SIRT5
SCHEMBL20074303 0.75 CCNB2 (0.47) TSHRKDM5BALDH1A1MEN1HPGD
SCHEMBL20074113 0.75 KDM5B (0.44) TSHRKDM5BTDP1ALDH1A1SIRT5
SCHEMBL20074328 0.75 KDM5B (0.44) TSHRKDM5BLMNAPKM
SCHEMBL20074237 0.74 KDM5B (0.47) TSHRKDM5BTDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46375-E1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO., LTD. (JP) 2017-04-25 US disclosed
US-RE46365-E1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO., LTD. (JP) 2017-04-11 US disclosed
US-RE46365-E1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO., LTD. (JP) 2017-04-11 US disclosed
US-8536192-B2 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO. LTD. (JP) 2013-09-17 US disclosed
US-20120135978-A1 6,7-UNSATURATED-7-CARBAMOYL SUBSTITUTED MORPHINAN DERIVATIVE SHIONOGI & CO., LTD. 2012-05-31 US disclosed
US-8084460-B2 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO., LTD. (JP) 2011-12-27 US disclosed
US-20090203723-A1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative SHIONOGI & CO., LTD. (JP) 2009-08-13 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-20120135978-A1 6,7-UNSATURATED-7-CARBAMOYL SUBSTITUTED MORPHINAN DERIVATIVE HRH2, GPR27, HRH4 TSHR 1975/4885KDM5B 2593/4885TDP1 4581/4885
US-20090203723-A1 6,7-unsaturated-7-carbamoyl substituted morphinan derivative HRH2, GPR27, HRH4 TSHR 1975/4885KDM5B 2593/4885TDP1 4581/4885

“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.