SCHEMBL6049185

SCHEMBL6049185

O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2)c(C2CCCN2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 2/20 0.41
▸ MAPT P10636 4/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PDE7A Q13946 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ PYGL P06737 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ PPOX P50336 1/20 0.36

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
SCHEMBL6049218 0.89 HSPB1 (0.41) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL6049259 0.76 RAB9A (0.44) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL6049260 0.76 RAB9A (0.44) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL11856448 0.74 HSPB1 (0.72) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL31009437 0.72 HSPB1 (0.50) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL11589948 0.71 HSP90AA1 (0.61) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL6930116 0.71 HSPB1 (0.49) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL31518236 0.70 MEN1 (0.55) MEN1KMT2A
SCHEMBL4373201 0.70 HSPB1 (0.65) HSPB1MAPTNPSR1MEN1KMT2A
SCHEMBL11088781 0.70 PLA2G7 (0.51) HSPB1MAPTNPSR1MEN1KMT2A

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-1184372-B1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) PFIZER LTD (GB) 2006-04-26 — — EP disclosed
US-6630504-B2 Activity as selective serotonin re- uptake inhibitors (SSRIs); for therapy and prophylaxis of depression, attention deficit hyperactivity disorder, obsessive-compulsive disorder, post-traumatic stress disorder, sexual dysfunction PFIZER INC. 2003-10-07 — — US disclosed
US-20020183303-A1 Phenoxyphenylheterocyclyl derivatives as SSRIs PFIZER INC. 2002-12-05 — — US disclosed
EP-1184372-A1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) Pfizer Limited (GB) 2002-03-06 — — 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-20020183303-A1 Phenoxyphenylheterocyclyl derivatives as SSRIs CRHR1, NR3C1, HTR6 HSPB1 1261/4885MAPT 3438/4885NPSR1 17/4885

“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.

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