SCHEMBL4028762

SCHEMBL4028762

COC(=O)CC1CN(Cc2ccccc2)CC=C1c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
CHRM4 P08173 4/20 0.43
CHRM2 P08172 3/20 0.43
CHRM5 P08912 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
SIGMAR1 Q99720 3/20 0.41
SLC6A12 P48065 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MCHR1 Q99705 1/20 0.41
NR1H2 P55055 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA1G O43497 1/20 0.39

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
SCHEMBL3675192 0.82 DRD4 (0.46) DRD2DRD4SIGMAR1SLC6A12TMEM97
SCHEMBL6042662 0.82 DRD4 (0.46) DRD2DRD4SIGMAR1SLC6A12TMEM97
SCHEMBL4024506 0.81 MEN1 (0.39) DRD2DRD4CHRM4CHRM2CHRM5
SCHEMBL6041801 0.81 ACHE (0.41) DRD2DRD4
SCHEMBL6041799 0.81 ACHE (0.41) DRD2DRD4
SCHEMBL7531895 0.79 CHRM4 (0.49) DRD2DRD4CHRM4CHRM2CHRM5
SCHEMBL27488212 0.78 MEN1 (0.44) DRD2DRD4CHRM4CHRM2CHRM5
SCHEMBL7466045 0.77 DRD2 (0.42) DRD2DRD4CHRM4SIGMAR1SLC6A12
SCHEMBL6043641 0.77 ACHE (0.42) DRD2DRD4MEN1KMT2A
SCHEMBL6043648 0.77 ACHE (0.42) DRD2DRD4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1315701-B1 PROCESS FOR THE RACEMISATION OF 1-BENZYL-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYL-1,2,3,6-TETRAHYDROPYRIDINE TO BE USED AS INTERMEDIATE IN THE SYNTHESIS OF PAROXETINE AESICA PHARMACEUTICALS LTD (GB) 2009-01-28 EP disclosed
US-6949650-B2 Process for the racemization of 1-benzyl-4-(4-fluorophenyl)-3-hydroxymethyl-1,2-3,6-tetrahydropyridine to be used as intermediate in the synthesis of paroxetine AESICA PHARMACEUTICALS LTD. (GB) 2005-09-27 US disclosed
US-20040014786-A1 Procee for the racemisation of 1-benzyl-4-(4-fluorophenyl)-3-hydroxymethyl-1,2-3,6-tetrahydropyridine to be used as intermediate in the synthesis of paroxetine AESICA PHARMCEUTICALS LTD. (GB) 2004-01-22 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-20040014786-A1 Procee for the racemisation of 1-benzyl-4-(4-fluorophenyl)-3-hydroxymethyl-1,2-3,6-tetrahydropyridine to be used as intermediate in the synthesis of paroxetine HTR1E, HTR1A, CYP1B1 DRD2 73/4885DRD4 58/4885CHRM4 148/4885

“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.