SCHEMBL4050281

SCHEMBL4050281

CCN1CCCCc2cc(Cl)c(Cl)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.49
HDAC6 Q9UBN7 7/20 0.49
HRH3 Q9Y5N1 2/20 0.43
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ACHE P22303 1/20 0.38
AVPR2 P30518 3/20 0.38
HDAC8 Q9BY41 1/20 0.36
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 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
SCHEMBL12656336 0.87 HTR2A (0.49) HDAC1HDAC6HRH3HTR2AHTR2C
SCHEMBL12656517 0.75 HDAC1 (0.53) HDAC1HDAC6HRH3AVPR2HDAC8
SCHEMBL14473195 0.75 HTR2A (0.67) HDAC1HDAC6HTR2AHTR2CHTR2B
SCHEMBL16800224 0.75 HDAC1 (0.55) HDAC1HDAC6HRH3ACHEMEN1
SCHEMBL12735193 0.74 HTR2A (0.47) HDAC1HDAC6HTR2AHTR2CHTR2B
SCHEMBL14986037 0.73 CHRM2 (0.59) HDAC1HDAC6HRH3ACHEMEN1
SCHEMBL19368983 0.72 CREBBP (0.43)
SCHEMBL12626929 0.71 ALDH1A1 (0.65) HDAC1HDAC6AVPR2HDAC8MEN1
SCHEMBL10994938 0.71 HDAC1 (0.40) HDAC1HDAC6HRH3HTR2AHTR2C
SCHEMBL10784314 0.71 ALDH1A1 (0.52) HDAC1HDAC6HRH3HDAC8MEN1

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-7514422-B2 5HT2c receptor modulators ARENA PHARMACEUTICALS, INC. (US) 2009-04-07 US disclosed
US-20050020573-A1 Obesity; using 3-benoazepine compound ARENA PHARMACEUTICALS, INC. (US) 2005-01-27 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-20050020573-A1 Obesity; using 3-benoazepine compound HTR2C, HTR3C, HTR3B HDAC1 469/4885HDAC6 1291/4885HRH3 269/4885

“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.