SCHEMBL18878201

SCHEMBL18878201

CC(c1ccco1)N(C)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
OPRM1 P35372 1/20 0.42
OPRK1 P41145 1/20 0.42
NPSR1 Q6W5P4 4/20 0.38
TSHR P16473 3/20 0.38
MAPT P10636 2/20 0.38
POLB P06746 3/20 0.37
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL18884502 0.80 ALOX5 (0.47) ALOX5OPRM1OPRK1NPSR1TSHR
SCHEMBL22838158 0.80 ALOX5 (0.44) ALOX5OPRM1OPRK1NPSR1TSHR
SCHEMBL3853218 0.76 ALOX5 (0.53) ALOX5OPRM1OPRK1TSHRMAPT
SCHEMBL4558469 0.67 HTR1A (0.36) NPSR1TSHRMAPTPOLBKMT2A
SCHEMBL15157574 0.65 DRD2 (0.32) GAA
SCHEMBL7098541 0.65 TP53 (0.46) ALOX5MAPTPOLBHPGDKMT2A
SCHEMBL80874 0.65
SCHEMBL3681370 0.63 KMT2A (0.45) HPGDKMT2AMEN1ALDH1A1HSD17B10
SCHEMBL31584726 0.63 ALOX5 (0.41) ALOX5OPRM1OPRK1MAPTPOLB
SCHEMBL30264520 0.63 USP2 (0.44) NPSR1TSHRMAPTPOLBHPGD

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-3756464-A1 SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-12-30 EP disclosed
EP-3151669-B1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-10-28 EP disclosed
US-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2020-09-10 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 US disclosed
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2017-05-25 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 (2 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-20200283398-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 ALOX5 254/4885OPRM1 4483/4885OPRK1 4771/4885
US-20170144980-A1 USE OF SUBSTITUTED OXADIAZOLES FOR COMBATING PHYTOPATHOGENIC FUNGI CYP51A1, DPM1, NOX1 ALOX5 254/4885OPRM1 4483/4885OPRK1 4771/4885

“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.