SCHEMBL92906

SCHEMBL92906

Cc1cc(COC2CCCCO2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.47
TMEM97 Q5BJF2 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
GRM2 Q14416 1/20 0.38
GRM3 Q14832 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
P2RX3 P56373 2/20 0.37
CREBBP Q92793 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
EP300 Q09472 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TACR1 P25103 2/20 0.35

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
SCHEMBL79454 0.85 SLC6A2 (0.44) DRD4TMEM97SIGMAR1SLC6A2SLC6A4
SCHEMBL8992945 0.84 ICAM1 (0.38) DRD4TMEM97SIGMAR1L3MBTL1ICAM1
SCHEMBL1704760 0.84 L3MBTL1 (0.40) L3MBTL1ICAM1SELEKDM4CP2RX3
SCHEMBL93016 0.83 SMN1; SMN2 (0.47) DRD4TMEM97SIGMAR1ICAM1SELE
SCHEMBL1704863 0.82 L3MBTL1 (0.41) SLC6A4L3MBTL1ICAM1SELEKDM4C
SCHEMBL1705151 0.82 L3MBTL1 (0.38) DRD4TMEM97SIGMAR1SLC6A4L3MBTL1
SCHEMBL16727109 0.81 ICAM1 (0.38) L3MBTL1ICAM1SELEKDM4CCREBBP
SCHEMBL3078260 0.81 ICAM1 (0.40) L3MBTL1ICAM1SELEKDM4CCREBBP
SCHEMBL30834549 0.81 ICAM1 (0.38) L3MBTL1ICAM1SELEKDM4CCREBBP
SCHEMBL1704820 0.81 ICAM1 (0.39) L3MBTL1ICAM1SELEKDM4CP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273793-B2 Method for producing precursors for L-2- [18F] fluorophenylalanine and 6- [18F] fluoro-L—meta-tyrosine and the α-methylated derivatives thereof, precursor, and method for producing L-2- [18F] fluorophenylalanine and 6- [18F] fluoro-L-meta-tyrosine and the α-methylated derivatives from the precursor FORSCHUNGSZENTRUM JUELICH GMBH (DE) 2012-09-25 US disclosed
US-8129361-B2 Amine compound and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
US-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-15 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-20100179216-A1 AMINE COMPOUND AND PHARMACEUTICAL USE THEREOF HLA-B, HLA-A, HLA-C DRD4 599/4885TMEM97 4324/4885SIGMAR1 2080/4885

“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.