SCHEMBL2610403

SCHEMBL2610403

COc1cc(C)ncc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.41
SLC6A2 P23975 5/20 0.41
SLC6A3 Q01959 3/20 0.41
ALDH1A1 P00352 1/20 0.37
PDGFRB P09619 4/20 0.37
PDGFRA P16234 4/20 0.37
POLQ O75417 1/20 0.36
PDPK1 O15530 1/20 0.36
UHRF1 Q96T88 1/20 0.35
KCNH2 Q12809 1/20 0.35
HTT P42858 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
PDE10A Q9Y233 1/20 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
SCHEMBL14268085 0.83 TUBB1 (0.41) SLC6A4SLC6A2SLC6A3ALDH1A1PDGFRB
SCHEMBL1827513 0.82 ALDH1A1 (0.39) ALDH1A1PDGFRBPDGFRAHTTP2RX3
SCHEMBL1054720 0.79 ALDH1A1 (0.46) SLC6A4SLC6A2SLC6A3ALDH1A1PDGFRB
SCHEMBL8118182 0.78 DRD1 (0.39) ALDH1A1PDGFRBPDGFRAHTTP2RX3
SCHEMBL4128579 0.77 UHRF1 (0.43) SLC6A4SLC6A2SLC6A3ALDH1A1PDGFRB
SCHEMBL2117006 0.77 ALOX5AP (0.42) ALDH1A1PDGFRBPDGFRAP2RX3P2RX2
SCHEMBL2117484 0.77 KCNQ3 (0.41) SLC6A4ALDH1A1PDGFRBPDGFRAKCNH2
SCHEMBL21807891 0.77 PDGFRB (0.36) ALDH1A1PDGFRBPDGFRAHTTP2RX3
SCHEMBL29698232 0.77 PDGFRB (0.36) ALDH1A1PDGFRBPDGFRAHTTP2RX3
SCHEMBL29972903 0.77 KCNQ3 (0.41) SLC6A4ALDH1A1PDGFRBPDGFRAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268848-B2 Cyclopropane compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-18 US disclosed
US-20120095031-A1 CYCLOPROPANE COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-19 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-20120095031-A1 CYCLOPROPANE COMPOUND HCRTR1, HCRTR2, CNR1 SLC6A4 370/4885SLC6A2 331/4885SLC6A3 235/4885

“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.