SCHEMBL20177154

SCHEMBL20177154

Cc1cc(C(C)C)c(OCC#N)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1B P35368 2/20 0.38
POLB P06746 3/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
ADRA2A P08913 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR2C P28335 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
OPRK1 P41145 1/20 0.35
CHRNA4 P43681 1/20 0.35
HIF1A Q16665 1/20 0.35
LMNA P02545 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL20183061 0.83 ALOX15 (0.40) POLBALOX15LMNASMN1; SMN2ALDH1A1
SCHEMBL5532289 0.81 POLB (0.42) ADRA1AADRA1DADRA1BPOLBALOX15
SCHEMBL5529615 0.81 LMNA (0.45) ADRA1AADRA1DADRA1BPOLBALOX15
SCHEMBL14599985 0.78 P2RX3 (0.46) ADRA1AADRA1DADRA1BPOLBCYP1A2
SCHEMBL10640146 0.76 ESR1 (0.45) ADRA1AADRA1DADRA1BPOLBCYP1A2
SCHEMBL19364184 0.76 P2RX3 (0.42) POLBCYP1A2LMNASMN1; SMN2ALDH1A1
SCHEMBL28344355 0.75 ADRA1D (0.47) ADRA1AADRA1DADRA1BPOLBCYP1A2
SCHEMBL12572586 0.74 GAA (0.55) ADRA1AADRA1DADRA1BPOLBHTT
SCHEMBL25484238 0.74 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18959730 0.74 ALDH1A1 (0.40) ADRA1APOLBLMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2018-05-24 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-20180141919-A1 DIAMINOPYRIMIDINES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX6, P2RX2 ADRA1A 464/4885ADRA1D 235/4885ADRA1B 568/4885

“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.