SCHEMBL3840449

SCHEMBL3840449

CN(C(=O)c1ccccc1)C1CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.51
TSHR P16473 2/20 0.50
USP30 Q70CQ3 2/20 0.50
HPGD P15428 1/20 0.50
CCR5 P51681 2/20 0.49
PDK2 Q15119 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
HSD11B1 P28845 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
SCHEMBL9001749 1.00 CCR3 (0.51) CCR3TSHRUSP30HPGDCCR5
SCHEMBL14492207 0.93 ACHE (0.51) CCR3TSHRUSP30HPGDCCR5
SCHEMBL7403462 0.93 CCR3 (0.47) CCR3TSHRUSP30HPGDCCR5
SCHEMBL13744920 0.93 ACHE (0.51) CCR3TSHRUSP30HPGDCCR5
SCHEMBL14506645 0.93 ACHE (0.51) CCR3TSHRUSP30HPGDCCR5
SCHEMBL4359670 0.92 HPGD (0.59) CCR3TSHRHPGDCCR5ATM
SCHEMBL1001922 0.91 HPGD (0.62) TSHRHPGDCCR5ATMALDH1A1
SCHEMBL14374144 0.91 HPGD (0.62) TSHRHPGDCCR5ATMALDH1A1
SCHEMBL17103472 0.88 CCR3 (0.47) CCR3TSHRUSP30HPGDCCR5
SCHEMBL29449911 0.88 TSHR (0.48) CCR3TSHRUSP30HPGDCCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834237-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS Lupin Limited (IN) 2015-02-11 EP disclosed
WO-2013135126-A1 RICE TRANSPLANTER-MOUNTED LIQUID REAGENT APPLICATION DEVICE, AND METHOD OF APPLYING LIQUID REAGENT DURING RICE PLANTING USING SAME YAMATO NOHJI CO., LTD. (JP) 2013-09-19 WO disclosed
WO-2013136249-A1 HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS LUPIN LIMITED (IN) 2013-09-19 WO disclosed
US-7589204-B2 Indane compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-09-15 US disclosed
EP-2097385-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS Merck & Co., Inc. (US) 2009-09-09 EP disclosed
US-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS YOUNGMAN MICHAEL 2009-07-23 US disclosed
WO-2008051532-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
US-7271172-B2 Pyrrolidine and azetidine compounds as CCR5 antagonists SMITHKLINE BEECHAM CORPORATION (US) 2007-09-18 US disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 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 (1 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-20090187021-A1 INDANE COMPOUNDS AS CCR5 ANTAGONISTS CCR5, CCL5, IDO1 CCR3 10/4885TSHR 2844/4885USP30 4552/4885

“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.