SCHEMBL3609032

SCHEMBL3609032

COc1ccc(C)cc1S(=O)(=O)n1ccc2c(CN3CCCC3C)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
MAPK1 P28482 1/20 0.46
HTR6 P50406 8/20 0.46
USP2 O75604 2/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HTT P42858 1/20 0.41
HRH3 Q9Y5N1 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
Trifluoroacetic Acid SCHEMBL3623491 0.93 HTR6 (0.41) TSHRMAPK1HTR6USP2KMT2A
SCHEMBL3615066 0.85 HTR6 (0.57) TSHRHTR6USP2GAAKMT2A
SCHEMBL3610205 0.81 RECQL (0.49) TSHRHTR6USP2GAAKMT2A
SCHEMBL3623733 0.81 HTR6 (0.68) HTR6ALDH1A1PKMCYP3A4CYP2D6
SCHEMBL3619876 0.81 HTR6 (0.53) TSHRMAPK1HTR6USP2GAA
SCHEMBL3620134 0.80 HTR6 (0.48) TSHRMAPK1HTR6USP2GAA
SCHEMBL3620928 0.80 HTR6 (0.42) TSHRMAPK1HTR6USP2GAA
SCHEMBL3623493 0.78 TSHR (0.39) TSHRMAPK1HTR6USP2GAA
Trifluoroacetic Acid SCHEMBL3618819 0.78 HTR6 (0.50) TSHRHTR6ALDH1A1PKMCYP3A4
SCHEMBL3610207 0.78 HTR6 (0.57) TSHRHTR6USP2GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US claimed
EP-2046741-B1 INDOLES AS 5-HT6 MODULATORS PROXIMAGEN LTD (GB) 2012-10-31 EP disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A TSHR 244/4885MAPK1 2301/4885HTR6 1/4885

“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.