SCHEMBL3626113

SCHEMBL3626113

CCNC(=O)c1cc2c(CN3CCNCC3)c(OC)ccc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 1/20 0.43
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
DDR1 Q08345 2/20 0.41
HTR6 P50406 6/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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 SCHEMBL3614683 0.95 DDR1 (0.40) MTNR1BPOLBMAPTGAADDR1
SCHEMBL3616696 0.91 POLB (0.42) MTNR1BPOLBMAPTGAADDR1
SCHEMBL3624788 0.90 ALDH1A1 (0.44) MTNR1BPOLBMAPTGAAHTR6
SCHEMBL13120048 0.88 ALDH1A1 (0.45) MTNR1BPOLBMAPTGAADDR1
SCHEMBL3620798 0.87 NOD2 (0.46) MTNR1BPOLBMAPTGAAHTR6
Trifluoroacetic Acid SCHEMBL3614583 0.87 HTR6 (0.39) MTNR1BPOLBMAPTGAADDR1
Trifluoroacetic Acid SCHEMBL3619313 0.84 ALDH1A1 (0.42) MTNR1BPOLBMAPTGAADDR1
SCHEMBL3619350 0.81 ALDH1A1 (0.39) MTNR1BPOLBMAPTCHRM3ALDH1A1
SCHEMBL3614044 0.81 ALDH1A1 (0.45) MTNR1BPOLBMAPTGAAHTR6
Trifluoroacetic Acid SCHEMBL3615430 0.78 KDM4E (0.38) POLBDDR1ALDH1A1KDM4ETP53

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 14 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 claimed
US-7812017-B2 4-substituted indole and indoline compounds BIOVITRUM AB (PUBL.) (SE) 2010-10-12 US claimed
EP-2046741-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (publ) (SE) 2009-04-15 EP claimed
US-20080032968-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-02-07 US claimed
WO-2008003703-A1 INDOLES AS 5-HT6 MODULATORS BIOVITRUM AB (PUBL) (SE) 2008-01-10 WO 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
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
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
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 MTNR1B 21/4885POLB 3884/4885MAPT 1591/4885

“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.