SCHEMBL1950708

SCHEMBL1950708

N#CCC(=O)N1CCc2cc(NCc3ccc(Cl)cc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.47
DRD2 P14416 7/20 0.47
HSP90AA1 P07900 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
THRB P10828 3/20 0.44
LMNA P02545 2/20 0.44
IDO1 P14902 2/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
NOTUM Q6P988 1/20 0.43
MEN1 O00255 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KMT2A Q03164 1/20 0.43
TP53 P04637 2/20 0.43
KCNH2 Q12809 1/20 0.43
AVPR2 P30518 1/20 0.42

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
SCHEMBL1950469 0.85 DRD4 (0.50) DRD4DRD2HSP90AA1HDAC8HDAC6
SCHEMBL1948510 0.84 NOTUM (0.64) DRD4DRD2HSP90AA1HDAC8HDAC6
SCHEMBL1951535 0.83 KMT2A (0.48) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL1950866 0.82 DRD2 (0.48) DRD4DRD2HSP90AA1HDAC8HDAC6
SCHEMBL1948366 0.79 LMNA (0.47) DRD4DRD2HSP90AA1HDAC8HDAC6
SCHEMBL1948375 0.76 DRD2 (0.51) DRD4DRD2THRBLMNAPOLB
SCHEMBL2641060 0.76 LMNA (0.44) DRD4DRD2HSP90AA1HDAC8HDAC6
SCHEMBL1950239 0.75 NOTUM (0.64) DRD4DRD2THRBLMNAPOLB
SCHEMBL1950711 0.74 DRD2 (0.48) DRD4DRD2THRBLMNANOTUM
SCHEMBL20537078 0.72 HSD17B3 (0.53) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438055-B1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS JAPAN TOBACCO INC (JP) 2018-10-24 EP claimed
US-8426442-B2 Compounds XENTION LTD (GB) 2013-04-23 US claimed
EP-2438055-B1 DIHYDROINDOLE AND TETRAHYDROISOQUINOLINE DERIVATIVES USEFUL AS POTASSIUM CHANNEL INHIBITORS JAPAN TOBACCO INC (JP) 2018-10-24 EP disclosed
US-8426442-B2 Compounds XENTION LTD (GB) 2013-04-23 US disclosed
US-20110136860-A1 Compounds XENTION LTD. (GB) 2011-06-09 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-20110136860-A1 Compounds NR3C2, NR5A1, NR0B2 DRD4 739/4885DRD2 385/4885HSP90AA1 4761/4885

“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.