SCHEMBL4611536

SCHEMBL4611536

COc1ccc(C(O)C2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.60
SLC6A4 P31645 2/20 0.60
SLC6A3 Q01959 2/20 0.60
DHODH Q02127 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
EPHX2 P34913 2/20 0.45
NPC1 O15118 1/20 0.45
EPHX1 P07099 1/20 0.45
AOC3 Q16853 2/20 0.45
CHRM2 P08172 1/20 0.44

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
SCHEMBL23041828 0.84 SMN1; SMN2 (0.54) SLC6A2SLC6A4SLC6A3DHODHHRH3
SCHEMBL16861681 0.83 HRH3 (0.53) SLC6A2SLC6A4SLC6A3HRH3ALDH1A1
SCHEMBL21788564 0.83 TDP1 (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL14390178 0.80 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL10021103 0.79 DHODH (0.58) DHODHHRH3SMN1; SMN2MEN1KMT2A
SCHEMBL13232178 0.79 DHODH (0.58) SLC6A2SLC6A4SLC6A3DHODHHRH3
SCHEMBL1042296 0.79 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL20970365 0.78 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3ALDH1A1SMN1; SMN2
SCHEMBL9327579 0.78 CHRM2 (0.49) SLC6A2SLC6A4SLC6A3HRH3CHRM2
SCHEMBL8036930 0.77 DHODH (0.56) DHODHHRH3ALDH1A1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1249447-B1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol ALEMBIC LTD (IN) 2008-10-22 EP claimed
US-6756502-B2 AS CHEMICAL INTERMEDIATE IN PREPARATION OF VENLAFAXINE ALEMBIC LIMITED (IN) 2004-06-29 US claimed
US-20030195376-A1 Novel intermediate and processes for its preparation and conversion into a pharmacologically-active agent ALEMBIC LIMITED (A CORPORATION OF INDIA) (IN) 2003-10-16 US claimed
EP-1249447-A1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol Alembic Limited (IN) 2002-10-16 EP claimed
EP-1249447-B1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol ALEMBIC LTD (IN) 2008-10-22 EP disclosed
EP-1249447-B1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol ALEMBIC LTD (IN) 2008-10-22 EP disclosed
US-6756502-B2 AS CHEMICAL INTERMEDIATE IN PREPARATION OF VENLAFAXINE ALEMBIC LIMITED (IN) 2004-06-29 US disclosed
US-20030195376-A1 Novel intermediate and processes for its preparation and conversion into a pharmacologically-active agent ALEMBIC LIMITED (A CORPORATION OF INDIA) (IN) 2003-10-16 US disclosed
EP-1249447-A1 Intermediate for the production of 1-[2-dimethylamino-1-(4-methoxyphenyl)-ethyl]-cyclohexanol Alembic Limited (IN) 2002-10-16 EP 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-20030195376-A1 Novel intermediate and processes for its preparation and conversion into a pharmacologically-active agent CYP3A4, CYP4X1, CYP2F1 SLC6A2 211/4885SLC6A4 41/4885SLC6A3 255/4885

“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.