SCHEMBL20528664

SCHEMBL20528664

CN(Cc1ccc(C#N)cc1)C(=O)C1CC2CCC1C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.47
NSD2 O96028 2/20 0.46
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
HSD11B1 P28845 2/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHRM2 P08172 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
AGTR2 P50052 1/20 0.39
POLB P06746 2/20 0.37
KDM1A O60341 1/20 0.37
DPP4 P27487 1/20 0.37

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
SCHEMBL20528670 0.80 HPGD (0.37) HSD11B1HPGDNPC1ALDH1A1MAPT
SCHEMBL21681749 0.78 HPGD (0.40) HPGDNPC1ALDH1A1MAPTMAPK1
SCHEMBL5118098 0.72 NSD2 (0.63) CCR1NSD2SLC6A2SLC6A4NPC1
SCHEMBL5317577 0.71 NSD2 (0.61) NSD2NPC1ALDH1A1MAPTPOLB
SCHEMBL5317572 0.70 NSD2 (0.60) CCR1NSD2SLC6A2SLC6A4NPC1
SCHEMBL19049393 0.68 NSD2 (0.58) NSD2SLC6A2SLC6A4NPC1ALDH1A1
SCHEMBL19002504 0.68 NSD2 (0.55) NSD2SLC6A2SLC6A4NPC1ALDH1A1
SCHEMBL14540450 0.67 NSD2 (0.57) NSD2SLC6A2SLC6A4HPGDNPC1
SCHEMBL10194674 0.66 NSD2 (0.56) CCR1NSD2SLC6A2SLC6A4NPC1
SCHEMBL19002498 0.66 NSD2 (0.56) NSD2SLC6A2SLC6A4NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200045974-A1 Substituted Oxadiazoles for Combating Phytopathogenic Fungi BASF SE (DE) 2020-02-13 US disclosed
EP-3606912-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-02-12 EP disclosed
WO-2018184970-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2018-10-11 WO 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-20200045974-A1 Substituted Oxadiazoles for Combating Phytopathogenic Fungi CYP51A1, DPM1, TH CCR1 4036/4885NSD2 1979/4885SLC6A2 3771/4885

“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.