SCHEMBL6056595

SCHEMBL6056595

CC(C)(C)N1CCC(c2cc(O)no2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.36
SMYD3 Q9H7B4 11/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
STAT1 P42224 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL15451916 0.82 SMYD3 (0.45) SMYD3
SCHEMBL31234425 0.79
SCHEMBL17831922 0.78 SMYD3 (0.47) SMYD3DRD2DRD4DRD3ALDH1A1
SCHEMBL13406229 0.71 SMYD3 (0.51) SMYD3
SCHEMBL20066505 0.71 SMYD3 (0.41) SMYD3NPC1TSHRRAB9A
SCHEMBL12310294 0.71 SMYD3 (0.41) SMYD3DRD2DRD3
Hydrochloric Acid SCHEMBL3165224 0.70 SMYD3 (0.52) SMYD3
SCHEMBL19895092 0.69 S1PR3 (0.35) RETSMYD3STAT1NPC1TSHR
SCHEMBL1556567 0.69 KMO (0.36)
SCHEMBL12766413 0.69 SMYD3 (0.38) SMYD3STAT1NPC1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9751873-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2017-09-05 US disclosed
US-9751873-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2017-09-05 US disclosed
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-10-27 US disclosed
US-20160168141-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2016-06-16 US disclosed
US-9115101-B2 Aryl sultam derivatives as RORc modulators GENENTECH, INC. (US) 2015-08-25 US disclosed
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2015-07-16 US disclosed
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS GENENTECH INC (US) 2014-01-30 US disclosed
EP-1615699-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS Merck & Co., Inc. (US) 2006-01-18 EP disclosed
WO-2004092124-A2 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK & CO., INC. (US) 2004-10-28 WO 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 (4 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-20160168141-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA RET 900/4885SMYD3 1814/4885DRD2 2148/4885
US-20150197529-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA RET 900/4885SMYD3 1814/4885DRD2 2148/4885
US-20160311817-A1 HETEROARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORA, RORB RET 1166/4885SMYD3 1692/4885DRD2 2358/4885
US-20140031330-A1 ARYL SULTAM DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA RET 884/4885SMYD3 1842/4885DRD2 2160/4885

“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.