SCHEMBL10061689

SCHEMBL10061689

C=C1Nc2ccc(N3CCOCC3)cc2CN1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
TMEM97 Q5BJF2 5/20 0.40
SIGMAR1 Q99720 5/20 0.40
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 1/20 0.40
LGMN Q99538 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KIF11 P52732 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39

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
SCHEMBL10061667 0.87 CDK5 (0.44) TMEM97SIGMAR1ADRA2CALDH1A1KDM4E
SCHEMBL10061691 0.79 IDH1 (0.39) BRD4
SCHEMBL10061746 0.77 AR (0.41) BRD4
SCHEMBL10061699 0.75 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL10061742 0.75 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL10061732 0.74 LGMN (0.43) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL10061683 0.74 OPRM1 (0.43) SIGMAR1LGMNTDP1ALDH1A1KIF11
SCHEMBL10061734 0.73 IDH1 (0.40) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1
SCHEMBL11196268 0.70 CRBN (0.52) SLC6A2SLC6A4SLC6A3TDP1ALDH1A1
SCHEMBL12853680 0.70 TMEM97 (0.58) SLC6A2SLC6A4SLC6A3TMEM97SIGMAR1

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-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 SLC6A2 2944/4885SLC6A4 3652/4885SLC6A3 3583/4885

“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.