SCHEMBL172877

SCHEMBL172877

COC1CCC(C)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.38
SLC6A4 P31645 6/20 0.38
SLC6A3 Q01959 5/20 0.38
CNR2 P34972 1/20 0.36
HTR2C P28335 2/20 0.34
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
TAS1R2 Q8TE23 2/20 0.33
IDO1 P14902 2/20 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
SCHEMBL30130746 0.82 HTR2C (0.40) HTR2CTAS1R3TAS1R1TAS1R2
SCHEMBL4972049 0.82 HTR2C (0.40) HTR2CTAS1R3TAS1R1TAS1R2
SCHEMBL26419632 0.80 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3CNR2HTR2C
SCHEMBL11592473 0.78 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CNR2HTR2C
SCHEMBL30998353 0.78 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CNR2HTR2C
SCHEMBL11592475 0.78 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CNR2HTR2C
SCHEMBL11592479 0.78 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CNR2HTR2C
SCHEMBL26419677 0.77 TAS1R3 (0.39) SLC6A2SLC6A4SLC6A3TAS1R3TAS1R1
SCHEMBL19497432 0.76 CNR2 (0.41) SLC6A2SLC6A4SLC6A3CNR2HTR2C
SCHEMBL12705519 0.75 CNR2 (0.37) SLC6A2SLC6A4SLC6A3CNR2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130004-A1 RELEASE LAYER COMPOSITION FOR TRANSFER OF COMPONENTS TERECIRCUITS CORPORATION 2023-04-27 US disclosed
EP-1924565-B1 DIAMINOPYRIMIDINES AS P2X3 AND P3X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2016-09-14 EP disclosed
US-7776872-B2 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC (US) 2010-08-17 US disclosed
EP-1924565-A1 DIAMINOPYRIMIDINES AS P2X3 AND P3X2/3 MODULATORS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025900-A1 DIAMINOPYRIMIDINES AS P2X3 AND P3X2/3 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049610-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators ROCHE PALO ALTO LLC 2007-03-01 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-20070049610-A1 Diaminopyrimidines as P2X3 and P2X2/3 modulators P2RX3, P2RX6, P2RX2 SLC6A2 1467/4885SLC6A4 859/4885SLC6A3 340/4885

“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.