SCHEMBL14930690

SCHEMBL14930690

CC1CCCCc2c1[nH]c1ccccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 1/20 0.60
RB1 P06400 6/20 0.57
SIRT1 Q96EB6 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.54
CHRNA7 P36544 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
POLB P06746 1/20 0.48
HTR7 P34969 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
KIF11 P52732 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7088610 0.95 BRD3 (0.67) BRD3RB1SIRT1SIRT2CHRNA7
SCHEMBL14584257 0.88 BRD3 (0.57) BRD3RB1SIRT1SIRT2CHRNA7
SCHEMBL11827085 0.83 DRD2 (0.54) BRD3CHRNA7ADRA1DADRA1AADRA1B
SCHEMBL16258989 0.81 BRD3 (0.60) BRD3RB1SIRT1SIRT2ADRA1D
SCHEMBL13733389 0.80 BRD3 (0.56) BRD3RB1SIRT1SIRT2CHRNA7
SCHEMBL13751061 0.80 BRD3 (0.56) BRD3RB1SIRT1SIRT2CHRNA7
SCHEMBL13748402 0.80 RB1 (0.68) BRD3RB1SIRT1SIRT2CHRNA7
SCHEMBL11383479 0.79 BRD3 (0.52) BRD3RB1SIRT1SIRT2CHRNA7
SCHEMBL16521421 0.79 SIRT1 (0.63) SIRT1SIRT2MEN1KMT2A
SCHEMBL7074767 0.77 HTR7 (0.55) BRD3CHRNA7ADRA1DADRA1AADRA1B

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-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

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 BRD3 671/4885RB1 1973/4885SIRT1 872/4885

“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.