SCHEMBL4247946

SCHEMBL4247946

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.47
▸ GPR119 Q8TDV5 1/20 0.47
▸ RIPK1 Q13546 3/20 0.47
▸ TACR1 P25103 3/20 0.44
▸ KDM1A O60341 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ NR1H2 P55055 2/20 0.43
▸ NR1H3 Q13133 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HCRTR2 O43614 1/20 0.42
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ GRM5 P41594 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
SCHEMBL4247938 1.00 RORC (0.47) RORCGPR119RIPK1TACR1KDM1A
SCHEMBL4247942 1.00 RORC (0.47) RORCGPR119RIPK1TACR1KDM1A
SCHEMBL24700138 0.92 RIPK1 (0.52) RORCGPR119RIPK1KDM1AMAOB
SCHEMBL830155 0.85 RORC (0.46) RORCGPR119RIPK1TACR1KDM1A
SCHEMBL1595217 0.85 RORC (0.46) RORCGPR119RIPK1TACR1KDM1A
SCHEMBL15185071 0.85 RORC (0.46) RORCGPR119RIPK1TACR1KDM1A
SCHEMBL14343619 0.85 RORC (0.46) RORCGPR119RIPK1TACR1KDM1A
SCHEMBL4198304 0.85 RORC (0.46) RORCGPR119RIPK1TACR1KDM1A
SCHEMBL2299757 0.85 RORC (0.46) RORCGPR119RIPK1TACR1KDM1A
SCHEMBL29063356 0.85 RORC (0.46) RORCGPR119RIPK1TACR1KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20090306175-A1 HETEROCYCLIC ARYLSULPHONES SUITABLE FOR TREATING DISORDERS THAT RESPOND TO MODULATION OF THE SEROTONIN 5HT6 RECEPTOR HTR6, HTR1A, HTR5A RORC 1130/4885GPR119 270/4885RIPK1 4110/4885

“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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