SCHEMBL4191019

SCHEMBL4191019

COC(=O)[C@@H]1[C@H](c2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 6/20 0.50
▸ SLC6A4 P31645 4/20 0.50
▸ SLC6A2 P23975 3/20 0.50
▸ RORC P51449 1/20 0.44
▸ GPR119 Q8TDV5 1/20 0.43
▸ TACR1 P25103 1/20 0.43
▸ RIPK1 Q13546 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ PKM P14618 1/20 0.42

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
SCHEMBL19333460 1.00 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2RORCGPR119
SCHEMBL16732450 1.00 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2RORCGPR119
SCHEMBL4191023 1.00 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2RORCGPR119
SCHEMBL7436099 0.89 PDE4B (0.42) SLC6A3SLC6A4SLC6A2
SCHEMBL20806008 0.89 PDE4B (0.42) SLC6A3SLC6A4SLC6A2
SCHEMBL15185093 0.89 GPR119 (0.41) SLC6A3SLC6A4SLC6A2GPR119
SCHEMBL5973789 0.89 PDE4B (0.42) SLC6A3SLC6A4SLC6A2
SCHEMBL15185077 0.89 GPR119 (0.41) SLC6A3SLC6A4SLC6A2GPR119
SCHEMBL4198304 0.88 RORC (0.46) RORCGPR119TACR1RIPK1KDM1A
SCHEMBL1595217 0.88 RORC (0.46) RORCGPR119TACR1RIPK1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 — — US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 — — US disclosed
US-9758480-B2 1-(cycloalkyl-carbonyl)proline derivative SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-09-12 — — US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 — — US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 — — US disclosed
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2015-07-30 — — US disclosed
EP-2876105-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-05-27 — — EP disclosed
EP-2876105-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE Sumitomo Dainippon Pharma Co., Ltd. (JP) 2015-05-27 — — EP disclosed
US-8642642-B2 Heterocyclic arylsulphones suitable for treating disorders that respond to modulation of the serotonin 5HT6 receptor ABBOTT LABORATORIES (US) 2014-02-04 — — US disclosed
US-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2009-12-10 — — US disclosed
EP-2029528-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR Abbott GmbH & Co. KG (DE) 2009-03-04 — — EP disclosed
WO-2007118899-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR ABBOTT GMBH & CO. KG (DE) 2007-10-25 — — 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 (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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A SLC6A3 35/4885SLC6A4 19/4885SLC6A2 27/4885
US-20150210640-A1 1-(CYCLOALKYL-CARBONYL)PROLINE DERIVATIVE RB1, F2, SFPQ SLC6A3 4801/4885SLC6A4 4705/4885SLC6A2 4839/4885

“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.

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