SCHEMBL7445852

SCHEMBL7445852

CC(=O)N[C@H]1c2ccccc2C[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.48
TAS1R1 Q7RTX1 4/20 0.48
TAS1R2 Q8TE23 4/20 0.48
MTNR1A P48039 4/20 0.47
MTNR1B P49286 4/20 0.47
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX7 Q99572 1/20 0.40
SOAT1 P35610 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 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
SCHEMBL2466133 1.00 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL2464636 1.00 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL599611 1.00 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL2464634 1.00 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL23748757 0.84 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL4712243 0.84 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL29961639 0.84 TAS1R3 (0.67) TAS1R3TAS1R1TAS1R2MTNR1AMTNR1B
SCHEMBL7740807 0.83 MEN1 (0.54) MTNR1AMTNR1BMEN1ALDH1A1KMT2A
SCHEMBL2442157 0.83 MEN1 (0.54) MTNR1AMTNR1BMEN1ALDH1A1KMT2A
SCHEMBL8838880 0.83 MEN1 (0.54) MTNR1AMTNR1BMEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403824-B2 Pyridonemorphinan analogs and biological activity on opioid receptors PURDUE PHARMA L.P. (US) 2016-08-02 US disclosed
US-20150203494-A1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS PURDUE PHARMA L.P. 2015-07-23 US disclosed
US-20150183787-A1 PROPELLANE-BASED COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2015-07-02 US disclosed
US-8980906-B2 Pyridonemorphinan analogs and biological activity on opioid receptors PURDUE PHARMA L.P. (US) 2015-03-17 US disclosed
US-20140187549-A1 Pyridonemorphinan Analogs and Biological Activity on Opioid Receptors PURDUE PHARMA L.P. (US) 2014-07-03 US disclosed
EP-0738149-A4 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMA (IL) 1999-10-27 EP disclosed
EP-0738149-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1996-10-23 EP disclosed
WO-1995018617-A1 1-AMINOINDAN DERIVATIVES AND COMPOSITIONS THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 1995-07-13 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 (3 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-20150183787-A1 PROPELLANE-BASED COMPOUNDS AND THE USE THEREOF OPRL1, OPRK1, OPRD1 TAS1R3 721/4885TAS1R1 575/4885TAS1R2 885/4885
US-20140187549-A1 Pyridonemorphinan Analogs and Biological Activity on Opioid Receptors OPRM1, OPRK1, OPRL1 TAS1R3 905/4885TAS1R1 912/4885TAS1R2 1556/4885
US-20150203494-A1 PYRIDONEMORPHINAN ANALOGS AND BIOLOGICAL ACTIVITY ON OPIOID RECEPTORS OPRM1, OPRK1, OPRL1 TAS1R3 837/4885TAS1R1 928/4885TAS1R2 1526/4885

“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.