SCHEMBL11076324

SCHEMBL11076324

CC1Cc2[nH]c3ccccc3c2C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 2/20 0.54
RB1 P06400 3/20 0.52
DRD1 P21728 3/20 0.49
DRD5 P21918 3/20 0.49
DRD2 P14416 2/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL8579183 0.84 RB1 (0.63) NR2E1RB1DRD1DRD5DRD2
SCHEMBL2515919 0.84 NR2E1 (0.67) NR2E1RB1DRD1DRD5DRD2
SCHEMBL26837000 0.82 NR2E1 (0.59) NR2E1RB1DRD1DRD5KDM4E
SCHEMBL21754369 0.79 NR2E1 (0.75) NR2E1RB1KDM4EALDH1A1CYP1A2
SCHEMBL5229700 0.78 MEN1 (0.47) NR2E1RB1KDM4EALDH1A1CYP2D6
SCHEMBL11453237 0.77 KDM4E (0.59) NR2E1DRD1DRD5DRD2DRD4
SCHEMBL11858668 0.77 KDM4E (0.49) NR2E1RB1DRD1DRD5DRD2
SCHEMBL13751060 0.77 NR2E1 (0.50) NR2E1RB1DRD1DRD5DRD2
SCHEMBL29611826 0.77 KDM4E (0.59) NR2E1DRD1DRD5DRD2DRD4
SCHEMBL13923541 0.77 KDM4E (0.59) NR2E1DRD1DRD5DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206156-B2 Substituted indole derivatives Grünenthal GmbH (DE) 2015-12-08 US disclosed
US-20130116283-A1 Substituted indole derivatives Grünenthal GmbH (DE) 2013-05-09 US disclosed
EP-1848426-B1 TRICYCLIC CYTOPROTECTIVE COMPOUNDS HUNTER FLEMING LTD (GB) 2012-08-01 EP disclosed
US-4436917-A REACTION OF ANILINE AND GLYCOL, CATALYST MITSUI TOATSU CHEMICALS, INC. (JP) 1984-03-13 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-20130116283-A1 Substituted indole derivatives IDO1, IDO2, TPH1 NR2E1 2616/4885RB1 1973/4885DRD1 815/4885

“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.