SCHEMBL4701431

SCHEMBL4701431

Cc1ccc(Oc2ccccc2Br)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.50
MAPT P10636 7/20 0.50
HPGD P15428 4/20 0.50
HTR1A P08908 2/20 0.50
HTR3A P46098 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL8737305 0.84 HTR1A (0.55) L3MBTL1MAPTHPGDHTR1AHTR3A
SCHEMBL4704057 0.84 SLC6A4 (0.43) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL22966289 0.82 LMNA (0.42) L3MBTL1MAPTHPGDHTR1AHTR3A
SCHEMBL2848211 0.82 ALDH1A1 (0.54) L3MBTL1MAPTHPGDNPC1RAB9A
SCHEMBL4950654 0.82 HTR1A (0.50) L3MBTL1MAPTHTR1AHTR3ANPC1
SCHEMBL31666386 0.82 HTR1A (0.50) L3MBTL1MAPTHTR1AHTR3ANPC1
SCHEMBL8101092 0.78 ALDH1A1 (0.59) L3MBTL1MAPTHTR1AHTR3ATDP1
SCHEMBL11422802 0.78 MAPT (0.51) L3MBTL1MAPTHPGDHTR1AHTR3A
SCHEMBL19828902 0.78 HTR1A (0.50) L3MBTL1MAPTHPGDHTR1AHTR3A
SCHEMBL3146032 0.78 HTR1A (0.50) L3MBTL1MAPTHPGDHTR1AHTR3A

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 4 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 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 L3MBTL1 4442/4885MAPT 1759/4885HPGD 669/4885

“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.