SCHEMBL6049191

SCHEMBL6049191

O=C(O)N1CCCC1c1cc([N+](=O)[O-])ccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SERPINE1 P05121 2/20 0.39
▸ HSPB1 P04792 2/20 0.38
▸ SCD5 Q86SK9 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ PGR P06401 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HRH3 Q9Y5N1 2/20 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
SCHEMBL6049192 1.00 GCK (0.43) GCKALDH1A1MAPTMEN1KMT2A
SCHEMBL6049259 0.90 RAB9A (0.44) GCKALDH1A1MAPTMEN1KMT2A
SCHEMBL6049260 0.90 RAB9A (0.44) GCKALDH1A1MAPTMEN1KMT2A
SCHEMBL6049200 0.78 KIF11 (0.45) MAPTKMT2ASCD5EPHX2
SCHEMBL7170392 0.78 EPHX2 (0.42) MAPTKMT2ATP53SCD5EPHX2
SCHEMBL6049210 0.77 SCD5 (0.38) GCKSERPINE1SCD5EPHX2HRH3
SCHEMBL6049218 0.76 HSPB1 (0.41) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL1922680 0.72 GCK (0.51) GCKALDH1A1MAPTHTTTBXA2R
SCHEMBL1922682 0.72 GCK (0.51) GCKALDH1A1MAPTHTTTBXA2R
SCHEMBL17273918 0.71 GCK (0.53) GCKALDH1A1MAPTMEN1KMT2A

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 GCK 2788/4885ALDH1A1 1006/4885MAPT 3438/4885

“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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