SCHEMBL6214530

SCHEMBL6214530

OCN1CC[C@H](Oc2ccc(Cl)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ACACB O00763 1/20 0.44
EPHX2 P34913 1/20 0.43
HRH3 Q9Y5N1 4/20 0.43
HTR2A P28223 2/20 0.43
HTR7 P34969 2/20 0.43
HTR1A P08908 1/20 0.43
HTR6 P50406 1/20 0.43
SIGMAR1 Q99720 4/20 0.43
ADRB2 P07550 1/20 0.42
CCR3 P51677 2/20 0.42
HRH1 P35367 1/20 0.42

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
SCHEMBL7508133 0.83 HSD17B10 (0.48) MEN1LMNAKMT2AACACBHRH3
SCHEMBL10607203 0.81 HRH3 (0.60) MEN1KMT2AHRH3SIGMAR1
Hydrochloric Acid SCHEMBL10608924 0.80 GAA (0.61) MEN1KMT2AHRH3SIGMAR1
SCHEMBL7508127 0.79 DRD2 (0.48) MEN1LMNAKMT2AACACBEPHX2
SCHEMBL2056241 0.78 HRH3 (0.68) MEN1LMNAKMT2ASLC6A4SLC6A2
SCHEMBL20788247 0.77 HTR2C (0.58) SLC6A4SLC6A2SLC6A3ACACBHRH3
SCHEMBL17848470 0.77 HTR2C (0.58) SLC6A4SLC6A2SLC6A3ACACBHRH3
SCHEMBL10261843 0.77 HTR2C (0.58) SLC6A4SLC6A2SLC6A3ACACBHRH3
SCHEMBL5394839 0.76 HRH3 (0.54) MEN1LMNAKMT2ASLC6A4SLC6A2
SCHEMBL13703558 0.76 LTA4H (0.54) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951874-B2 Compounds ASTRAZENECA AB (SE) 2005-10-04 US disclosed
US-6943188-B2 Hydroxyalkyl compounds ASTRAZENECA AB (SE) 2005-09-13 US disclosed
US-6927222-B2 1,3,4,5-tetrahydro-pyrido(4,3-b)indole-2-yl derivative useful for treating rheumatoid arthritis, chronic obstructive pulmonary disease, asthma and multple sclerosis ASTRAZENECA AB (SE) 2005-08-09 US disclosed
EP-1263724-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2005-05-18 EP disclosed
US-20030158225-A1 Novel compounds ASTRAZENECA AB (SE) 2003-08-21 US disclosed
US-20030149047-A1 Novel compounds ASTRAZENCA AB (SE) 2003-08-07 US disclosed
US-20030144267-A1 Novel compounds ASTRAZENECA AB (SE) 2003-07-31 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 (3 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-20030158225-A1 Novel compounds UGT2B7, RPS4Y1, RPS4X MEN1 1294/4885LMNA 3735/4885KMT2A 3277/4885
US-20030149047-A1 Novel compounds RPS4Y1, RPS4X, RPS6 MEN1 1120/4885LMNA 3811/4885KMT2A 3481/4885
US-20030144267-A1 Novel compounds RPS4X, RPS4Y1, UGT2B7 MEN1 1455/4885LMNA 3715/4885KMT2A 3037/4885

“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.