SCHEMBL17169586

SCHEMBL17169586

Cc1ccnc(C)c1N1c2ccccc2N(C2CCCC2)[C@H]1C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.34
OPRM1 P35372 3/20 0.31
OPRK1 P41145 3/20 0.31
OPRL1 P41146 3/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
OPRD1 P41143 1/20 0.30
OGFRL1 Q5TC84 1/20 0.30
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL17169576 0.99 C5AR1 (0.34) C5AR1OPRM1OPRK1OPRL1MEN1
SCHEMBL17169598 0.81 ALDH1A1 (0.38) OPRM1OPRK1OPRL1MEN1KMT2A
SCHEMBL17169599 0.80 ALDH1A1 (0.40) OPRM1OPRK1OPRL1MEN1GAA
SCHEMBL17169600 0.79 ALDH1A1 (0.34) C5AR1MEN1KMT2AHPGDALDH1A1
SCHEMBL17169565 0.78 PDE9A (0.34) OPRM1OPRK1OPRL1MEN1GAA
SCHEMBL26828145 0.78 SLC18A3 (0.39) OPRM1OPRK1OPRL1MEN1GAA
SCHEMBL17169559 0.77 TSHR (0.34) OPRM1OPRK1OPRL1MEN1KMT2A
SCHEMBL26828141 0.76 TSHR (0.40) OPRM1OPRK1OPRL1MEN1KMT2A
SCHEMBL17169601 0.76 NPC1 (0.32) C5AR1HPGD
SCHEMBL17169588 0.76 HPGD (0.33) C5AR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9911928-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 US disclosed
US-9911928-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-03-06 US disclosed
US-9905785-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 US disclosed
US-9905785-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-02-27 US disclosed
US-20160276603-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-22 US disclosed
US-20150295189-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2015-10-15 US disclosed
US-20150295189-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2015-10-15 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 (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-20160276603-A1 Organic Electroluminescent Materials and Devices EML4, BICRA, TBCB C5AR1 4206/4885OPRM1 475/4885OPRK1 1374/4885

“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.