SCHEMBL19926282

SCHEMBL19926282

COc1ccc2cn(C(=O)NCC(c3ccsc3)N(C)C)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.52
OPRD1 P41143 8/20 0.52
ACKR3 P25106 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 4/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA4 P43681 1/20 0.42
MEN1 O00255 3/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A5 Q9Y345 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
SCHEMBL19925901 0.88 ACKR3 (0.46) OPRM1OPRD1ACKR3ALDH1A1KMT2A
SCHEMBL19926244 0.88 ACKR3 (0.46) OPRM1OPRD1ACKR3KMT2ACHRNB2
SCHEMBL19925979 0.87 OPRM1 (0.67) OPRM1OPRD1ALDH1A1TDP1KMT2A
SCHEMBL19926249 0.87 ACKR3 (0.56) OPRM1OPRD1ACKR3CHRNB2CHRNB4
SCHEMBL19926090 0.87 ACKR3 (0.45) OPRM1OPRD1ACKR3ALDH1A1KMT2A
SCHEMBL19925898 0.86 ACKR3 (0.47) OPRM1OPRD1ACKR3KMT2ACHRNB2
SCHEMBL19926157 0.85 ACKR3 (0.54) OPRM1OPRD1ACKR3ALDH1A1TDP1
SCHEMBL19926283 0.80 OPRM1 (0.49) OPRM1OPRD1ACKR3ALDH1A1TDP1
SCHEMBL30142480 0.80 OPRM1 (0.49) OPRM1OPRD1ACKR3ALDH1A1TDP1
SCHEMBL19926219 0.79 ALDH1A1 (0.58) OPRM1OPRD1ALDH1A1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315567-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2022-10-06 US claimed
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 US claimed
EP-3506983-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME Mebias Discovery LLC (US) 2019-07-10 EP claimed
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC 2019-06-27 US claimed
WO-2018045229-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC (US) 2018-03-08 WO claimed
US-20220315567-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2022-10-06 US disclosed
US-11198685-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2021-12-14 US disclosed
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same MEBIAS DISCOVERY, INC. 2020-10-01 US disclosed
US-10683283-B2 Substituted ureas and methods of making and using same MEBIAS DISCOVERY, INC. (US) 2020-06-16 US disclosed
EP-3506983-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME Mebias Discovery LLC (US) 2019-07-10 EP disclosed
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC 2019-06-27 US disclosed
WO-2018045229-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME MEBIAS DISCOVERY LLC (US) 2018-03-08 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 (5 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-10683283-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R OPRM1 178/4885OPRD1 868/4885ACKR3 2484/4885
US-20220315567-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R OPRM1 178/4885OPRD1 868/4885ACKR3 2484/4885
US-20190194178-A1 SUBSTITUTED UREAS AND METHODS OF MAKING AND USING SAME UMPS, METTL3, UTS2R OPRM1 178/4885OPRD1 868/4885ACKR3 2484/4885
US-11198685-B2 Substituted ureas and methods of making and using same UMPS, METTL3, UTS2R OPRM1 178/4885OPRD1 868/4885ACKR3 2484/4885
US-20200308155-A1 Substituted Ureas and Methods of Making and Using Same UMPS, METTL3, UTS2R OPRM1 178/4885OPRD1 868/4885ACKR3 2484/4885

“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.