SCHEMBL4700586

SCHEMBL4700586

COc1ccc(Oc2ccccc2C2=CCNCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.51
HTR2C P28335 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
HSD17B10 Q99714 2/20 0.51
MAPK1 P28482 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
HTR1D P28221 1/20 0.51
BRCA1 P38398 1/20 0.51
KMT2A Q03164 1/20 0.51
CCNT1 O60563 4/20 0.46
CDK9 P50750 4/20 0.46
SIGMAR1 Q99720 1/20 0.45
HTR7 P34969 1/20 0.44
QDPR P09417 1/20 0.43
PDE10A Q9Y233 1/20 0.43
DRD2 P14416 1/20 0.43

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
SCHEMBL4702123 0.89 HTR2C (0.47) HTR6HTR2CALDH1A1KDM4EMAPT
SCHEMBL4702251 0.87 HTR2C (0.49) HTR6HTR2CALDH1A1KDM4EMAPT
SCHEMBL4699235 0.86 HTR2C (0.56) HTR6HTR2CALDH1A1KDM4EMAPT
SCHEMBL614978 0.85 CCNT1 (0.57) HTR6HTR2CALDH1A1KDM4EMAPT
SCHEMBL31348179 0.85 CCNT1 (0.57) HTR6HTR2CALDH1A1KDM4EMAPT
Hydrochloric Acid SCHEMBL6739875 0.79 HTR2C (0.61) HTR6HTR2CALDH1A1KDM4EMAPT
SCHEMBL546580 0.77 HTR1A (0.52) HTR6HTR2CALDH1A1KDM4EMAPT
SCHEMBL894220 0.77 QDPR (0.60) HTR6HTR2CALDH1A1KDM4EMAPT
SCHEMBL14704895 0.77 CCNT1 (0.49) HTR6HTR2CALDH1A1KDM4EMAPT
SCHEMBL11633646 0.75 HTR2C (0.51) HTR6HTR2CALDH1A1KDM4EMAPT

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-1635828-B1 4-(2-PHENYLOXYPHENYL)-PIPERIDINE OR -1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-04-23 EP claimed
US-20060293360-A1 4-(2-Phenyloxyphenyl)-piperidine or-1,2,3,6-tetrahydropyridine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-12-28 US claimed
EP-1635828-B1 4-(2-PHENYLOXYPHENYL)-PIPERIDINE OR -1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS LUNDBECK & CO AS H (DK) 2008-04-23 EP disclosed
US-20060293360-A1 4-(2-Phenyloxyphenyl)-piperidine or-1,2,3,6-tetrahydropyridine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2006-12-28 US disclosed
EP-1635828-A1 4-(2-PHENYLOXYPHENYL)-PIPERIDINE OR -1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. Lundbeck A/S (DK) 2006-03-22 EP disclosed
WO-2004087155-A1 4-(2-PHENYLOXYPHENYL)-PIPERIDINE OR -1,2,3,6-TETRAHYDROPYRIDINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2004-10-14 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-20060293360-A1 4-(2-Phenyloxyphenyl)-piperidine or-1,2,3,6-tetrahydropyridine derivatives as serotonin reuptake inhibitors HTR1D, TPH1, HTR2C HTR6 18/4885HTR2C 3/4885ALDH1A1 84/4885

“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.