SCHEMBL8258103

SCHEMBL8258103

Cc1ccc(OCC(C)O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.46
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR1 O14842 1/20 0.38
PPARD Q03181 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 2/20 0.38
ADRB3 P13945 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL28001069 0.86 LMNA (0.53) LMNAKMT2ASMN1; SMN2ADRB2ADRB1
SCHEMBL14363223 0.86 FFAR1 (0.45) LMNAMRGPRX4KMT2ASMN1; SMN2FFAR1
SCHEMBL11459339 0.84 LMNA (0.55) LMNAKMT2ASMN1; SMN2L3MBTL1RAB9A
SCHEMBL18295344 0.83 SCN4A (0.47) LMNAMRGPRX4KMT2ASMN1; SMN2
SCHEMBL18295365 0.83 SCN4A (0.47) LMNAMRGPRX4KMT2ASMN1; SMN2
SCHEMBL19250102 0.82 MRGPRX4 (0.44) MRGPRX4KMT2ASMN1; SMN2FFAR1PPARD
SCHEMBL8256645 0.82 MRGPRX4 (0.46) MRGPRX4KMT2ASMN1; SMN2FFAR1PPARD
SCHEMBL8251559 0.81 MRGPRX4 (0.42) MRGPRX4KMT2ASMN1; SMN2FFAR1PPARD
SCHEMBL14447027 0.81 MRGPRX4 (0.51) MRGPRX4KMT2ASMN1; SMN2FFAR1PPARD
SCHEMBL14447022 0.81 MRGPRX4 (0.51) MRGPRX4KMT2ASMN1; SMN2FFAR1PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 EP disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-7368449-B2 2-alkynyl- and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2008-05-06 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 US disclosed
US-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2004-11-04 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-20040220194-A1 2-Alkynyl-and 2-alkenyl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 LMNA 4065/4885MRGPRX4 342/4885KMT2A 2995/4885

“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.