SCHEMBL3622607

SCHEMBL3622607

COc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c2ccn(S(=O)(=O)c3ccccc3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.48
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 6/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.44
BCHE P06276 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
ALOX15 P16050 1/20 0.42
TGFBR1 P36897 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3620812 0.89 KDM4E (0.52) HTR6KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL3623475 0.84 HTR6 (0.53) HTR6KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL13120225 0.83 HTR6 (0.68) HTR6CYP3A4CYP2D6BCHE
Trifluoroacetic Acid SCHEMBL3609112 0.83 KDM4E (0.47) HTR6KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL3625769 0.81 HTR6 (0.64) HTR6KDM4EALDH1A1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL3623208 0.80 HTR6 (0.56) HTR6KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL30963340 0.79 VEGFA (0.59) HTR6KDM4EALDH1A1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4022768 0.77 KDM4E (0.42) HTR6KDM4EALDH1A1CYP3A4CYP2D6
SCHEMBL27771128 0.76 HTR6 (0.53) HTR6KDM4EALDH1A1CYP3A4CYP2D6
Trifluoroacetic Acid SCHEMBL4016534 0.76 HTR6 (0.51) HTR6KDM4EALDH1A1CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP disclosed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US disclosed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 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-20080032968-A1 New compounds HTR6, HTR1B, HTR1A HTR6 1/4885KDM4E 3665/4885ALDH1A1 917/4885

“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.