SCHEMBL5743895

SCHEMBL5743895

ClCN1CCc2ccc3occc3c21

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.40
HTR2A P28223 5/20 0.40
HTR2B P41595 4/20 0.40
SIGMAR1 Q99720 10/20 0.35
HTR1A P08908 1/20 0.34
DRD3 P35462 1/20 0.34
MAOB P27338 3/20 0.32
NFKB1 P19838 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 3/20 0.30
EZH2 Q15910 1/20 0.30
BCHE P06276 1/20 0.30

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
SCHEMBL9411933 0.84 HTR2C (0.40) HTR2CHTR2AHTR2BSIGMAR1HTR1A
SCHEMBL30000911 0.76 HTR2C (0.42) HTR2CHTR2AHTR2BSIGMAR1HTR1A
SCHEMBL7600224 0.76 HTR2C (0.42) HTR2CHTR2AHTR2BSIGMAR1HTR1A
Ammonia Solution, Strong SCHEMBL14677992 0.74 HTR2C (0.41) HTR2CHTR2AHTR2BSIGMAR1HTR1A
SCHEMBL4429415 0.61 PAX8 (0.48) HTR2CHTR2AHTR2BMAOBNFKB1
SCHEMBL13983903 0.60 HTR2C (0.66) HTR2CHTR2AHTR2BHTR1ADRD3
SCHEMBL3633037 0.59 HTR2A (0.46) HTR2CHTR2AHTR2BHTR1ADRD3
SCHEMBL29752613 0.58 MAOA (0.62) HTR2CHTR2AHTR2BMAOBNFKB1
SCHEMBL623741 0.58 MAOA (0.62) HTR2CHTR2AHTR2BMAOBNFKB1
SCHEMBL9411925 0.58 HTR2C (0.57) HTR2CHTR2AHTR2BHTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320522-B8 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS LEE MOSES (US) 2006-02-01 EP disclosed
EP-1320522-B1 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-11-23 EP disclosed
US-6660742-B2 Alkylation therapy; anticancer agent TAIHO PHARMACEUTICAL CO. LTD. (JP) 2003-12-09 US disclosed
EP-1320522-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2003-06-25 EP disclosed
US-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins MEDIMMUNE LIMITED (GB) 2003-04-17 US disclosed
WO-2002030894-A2 COMPOSITIONS AND METHODS OF THE USE THEREOF ACHIRAL ANALOGUES OF CC-1065 AND THE DUOCARMYCINS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-18 WO 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-20030073731-A1 Compositions and methods of the use thereof achiral analogues of CC-1065 and the duocarmycins DDB1, ERCC2, SSU72 HTR2C 3049/4885HTR2A 3350/4885HTR2B 3547/4885

“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.