SCHEMBL3621271

SCHEMBL3621271

CCOc1ccc2[nH]ccc2c1CN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
HTR1A P08908 1/20 0.40
DHFR P00374 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
S1PR1 P21453 3/20 0.38
S1PR3 Q99500 2/20 0.38
LYN P07948 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCD Q05655 1/20 0.38
CYP3A4 P08684 2/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.35
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL3617254 0.84 MTNR1A (0.53) ALDH1A1KDM4EHSD17B10HTR1AMTNR1A
SCHEMBL4623327 0.74 ALDH1A1 (0.53) ALDH1A1KDM4EHSD17B10HPGDHTR1A
SCHEMBL15704604 0.74 TSHR (0.43) HTR1ADHFRMTNR1AMTNR1BS1PR1
SCHEMBL6228671 0.74 DHFR (0.43) ALDH1A1KDM4EHTR1ADHFRMTNR1A
Trifluoroacetic Acid SCHEMBL4020623 0.73 MTNR1A (0.52) ALDH1A1HTR1AMTNR1AMTNR1BMEN1
SCHEMBL827777 0.70 HTR1B (0.59) ALDH1A1KDM4EHTR1AS1PR1S1PR3
SCHEMBL3621402 0.69 MTNR1A (0.56) HPGDHTR1AMTNR1AMTNR1BMEN1
Dimethylamine SCHEMBL4864584 0.67 HTR1B (0.58) ALDH1A1KDM4EHTR1ACYP3A4MAPT
SCHEMBL9314498 0.67 POLB (0.46) ALDH1A1KDM4EHTR1AS1PR1S1PR3
SCHEMBL12809024 0.66 PPARD (0.52) ALDH1A1KDM4EHTR1AMTNR1AMTNR1B

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 3 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
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 ALDH1A1 917/4885KDM4E 3665/4885HSD17B10 2068/4885

“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.