SCHEMBL4499757

SCHEMBL4499757

CCn1ccc2cc(OBOc3ccc4c(ccn4CC)c3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43

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
SCHEMBL7232114 0.84 HTR2C (0.64) HTR2CKDM4EMEN1MAPTKMT2A
SCHEMBL4397627 0.81 HTR2C (0.49) HTR2CKDM4EMEN1MAPTKMT2A
SCHEMBL7232110 0.81 HTR2C (0.49) HTR2CKDM4EMEN1MAPTKMT2A
SCHEMBL4397541 0.81 HTR2C (0.49) HTR2CKDM4EMEN1MAPTKMT2A
SCHEMBL4401260 0.81 KDM4E (0.53) HTR2CKDM4EMEN1MAPTKMT2A
Dimethylamine SCHEMBL3332584 0.80 MTNR1A (0.60) HTR2CKDM4EMEN1MAPTKMT2A
SCHEMBL2656889 0.77 PRKCI (0.52) HTR2CTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL6561722 0.75 KDM4E (0.45) HTR2CKDM4EMEN1MAPTKMT2A
SCHEMBL11084225 0.73 HTR2A (0.62) HTR2CMAPTTUBB4ATUBBTUBA3C
SCHEMBL980885 0.72 HTR2C (0.65) HTR2CKDM4EMEN1MAPTKMT2A

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-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 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-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 HTR2C 851/4885KDM4E 1472/4885MEN1 4864/4885

“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.