SCHEMBL634515

SCHEMBL634515

CC(C)(C)OC(=O)N1CC[C@H](C(O)c2nccs2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.47
RBBP4 Q09028 1/20 0.47
SUZ12 Q15022 1/20 0.47
EZH2 Q15910 1/20 0.47
AEBP2 Q6ZN18 1/20 0.47
GPR119 Q8TDV5 6/20 0.47
CNR1 P21554 3/20 0.46
USP30 Q70CQ3 4/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
DPP4 P27487 1/20 0.40
PIK3CD O00329 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL13326703 1.00 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL635787 1.00 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL634514 1.00 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL3057329 1.00 EED (0.47) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL14481599 0.93 CNR1 (0.44) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL14972447 0.93 CNR1 (0.44) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL4245243 0.93 EED (0.54) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL13326709 0.85 CNR1 (0.46) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL13677624 0.84 GPR119 (0.42) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL635710 0.81 KDM4C (0.37) DPP4

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
EP-2419405-A1 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS Theravance, Inc. (US) 2012-02-22 EP disclosed
WO-2010120910-A1 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS THERAVANCE, INC. (US) 2010-10-21 WO disclosed
US-20100267743-A1 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS THERAVANCE BIOPHARMA R&D IP, LLC 2010-10-21 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 (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-20100267743-A1 3-(PHENOXYPYRROLIDIN-3-YL-METHYL)HETEROARYL, 3-(PHENYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL, AND 3-(HETEROARYLPYRROLIDIN-3-YLMETHOXY)HETEROARYL COMPOUNDS HTR3C, SLC6A2, ADRB3 EED 1673/4885RBBP4 569/4885SUZ12 852/4885

“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.