SCHEMBL18577951

SCHEMBL18577951

Cc1cnn(C2CN(C(c3ccccc3)c3ccccc3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.42
OPRM1 P35372 10/20 0.40
OPRL1 P41146 10/20 0.40
OPRK1 P41145 8/20 0.40
OPRD1 P41143 7/20 0.40
CYP2D6 P10635 2/20 0.39
HRH1 P35367 2/20 0.39
KCNH2 Q12809 2/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1D P25100 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL21640161 0.82 OPRL1 (0.39) OPRM1OPRL1OPRK1OPRD1CYP2D6
SCHEMBL18765288 0.79 OPRD1 (0.44) OPRD1CCR5
SCHEMBL21641112 0.79 OGA (0.41) OGAOPRM1OPRL1OPRK1OPRD1
SCHEMBL18390055 0.78 OGA (0.44) OGACYP2D6HRH1KCNH2
SCHEMBL21640831 0.77 F2 (0.42) ADORA3SLC6A3CYP3A4CYP2C9CYP2C19
SCHEMBL21641087 0.77 OPRD1 (0.46) OPRD1L3MBTL1CCR5
SCHEMBL18764813 0.77 OPRD1 (0.49) OPRD1CYP2D6CCR5CYP3A4CYP2C9
SCHEMBL21640779 0.77 OGA (0.49) OGACYP2D6CCR5CYP3A4CYP2C9
SCHEMBL21640616 0.77 OGA (0.49) OGAOPRD1CCR5CYP3A4CYP2C9
SCHEMBL18556116 0.75 OPRM1 (0.40) OPRM1OPRL1OPRK1OPRD1CYP2D6

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-11066399-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-07-20 US disclosed
US-20210139472-A1 Novel Ferroportin Inhibitors VIFOR (INTERNATIONAL) AG (CH) 2021-05-13 US disclosed
US-10738041-B2 Ferroportin inhibitors VIFOR (INTERNATIONAL) AG (CH) 2020-08-11 US disclosed
CN-107922434-B EZH2 inhibitors 伊莱利利公司 2020-06-19 CN disclosed
EP-3341379-B1 INHIBITORS OF EZH2 LILLY CO ELI (US) 2019-10-09 EP disclosed
EP-3341379-B1 INHIBITORS OF EZH2 LILLY CO ELI (US) 2019-10-09 EP disclosed
US-9718838-B2 Inhibitors of EZH2 ELI LILLY AND COMPANY (US) 2017-08-01 US disclosed
US-9718838-B2 Inhibitors of EZH2 ELI LILLY AND COMPANY (US) 2017-08-01 US disclosed
US-9718838-B2 Inhibitors of EZH2 ELI LILLY AND COMPANY (US) 2017-08-01 US disclosed
US-20170066780-A1 INHIBITORS OF EZH2 ELI LILLY AND COMPANY 2017-03-09 US disclosed
US-20170066780-A1 INHIBITORS OF EZH2 ELI LILLY AND COMPANY 2017-03-09 US disclosed
US-20170066780-A1 INHIBITORS OF EZH2 ELI LILLY AND COMPANY 2017-03-09 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 (4 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-20210139472-A1 Novel Ferroportin Inhibitors HAMP, SLC40A1, HMOX1 OGA 4732/4885OPRM1 1931/4885OPRL1 2754/4885
US-10738041-B2 Ferroportin inhibitors SLC40A1, HAMP, TFRC OGA 3644/4885OPRM1 2835/4885OPRL1 3497/4885
US-11066399-B2 Ferroportin inhibitors HAMP, SLC40A1, FTH1 OGA 4662/4885OPRM1 1593/4885OPRL1 2671/4885
US-20170066780-A1 INHIBITORS OF EZH2 EZH2, BMI1, EZH1 OGA 3862/4885OPRM1 4639/4885OPRL1 4844/4885

“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.