SCHEMBL20939732

SCHEMBL20939732

CN(C)C1COc2c(N)cc(Cl)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.43
HTR1A P08908 2/20 0.35
MAP3K14 Q99558 1/20 0.35
HTR2A P28223 6/20 0.32
HTR2C P28335 6/20 0.32
HTR2B P41595 6/20 0.32
HRH3 Q9Y5N1 6/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32

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
SCHEMBL20939382 0.83 HTR7 (0.47) HTR7HTR1AMAP3K14HTR2AHTR2C
SCHEMBL20939596 0.76 MAP3K14 (0.39) MAP3K14
SCHEMBL20939658 0.72 HTR7 (0.58) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL4107808 0.66 PARP1 (0.39)
SCHEMBL30695888 0.66 PARP1 (0.39)
SCHEMBL30786036 0.64 HTR1A (0.42) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL21142131 0.64 HTR1A (0.42) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL7332352 0.64 NOTUM (0.38)
SCHEMBL11462012 0.63 DRD2 (0.50) HTR7HTR1AHTR2AHTR2CHTR2B
SCHEMBL9787124 0.62 HTR7 (0.58) HTR7HTR1ADRD2DRD4DRD3

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-11186589-B2 Cyanoindoline derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2021-11-30 US disclosed
US-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2021-02-04 US disclosed
EP-3478673-B1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-09-16 EP disclosed
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2019-04-25 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 (3 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-20210032267-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS MAP3K14, NFKBIA, MAP3K15 HTR7 4709/4885HTR1A 4857/4885MAP3K14 1/4885
US-20190119299-A1 CYANOINDOLINE DERIVATIVES AS NIK INHIBITORS NFKBIA, IKBKG, IKBKB HTR7 4576/4885HTR1A 4814/4885MAP3K14 6/4885
US-11186589-B2 Cyanoindoline derivatives as NIK inhibitors MAP3K14, NFKBIA, MAP3K15 HTR7 4709/4885HTR1A 4857/4885MAP3K14 1/4885

“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.