SCHEMBL6049260

SCHEMBL6049260

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GCK P35557 1/20 0.43
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TTR P02766 1/20 0.42
▸ PPOX P50336 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ PYGL P06737 1/20 0.41
▸ ENPP2 Q13822 2/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ SERPINE1 P05121 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
SCHEMBL6049259 1.00 RAB9A (0.44) RAB9ASMN1; SMN2LMNAHPGDGCK
SCHEMBL6049192 0.90 GCK (0.43) SMN1; SMN2GCKMAPTALDH1A1MEN1
SCHEMBL6049191 0.90 GCK (0.43) SMN1; SMN2GCKMAPTALDH1A1MEN1
SCHEMBL6049181 0.78 SLC6A4 (0.52) MAPT
SCHEMBL6049185 0.76 HSPB1 (0.41) RAB9ASMN1; SMN2LMNAHPGDMAPT
SCHEMBL6049177 0.72 HSP90AA1 (0.41) SMN1; SMN2GCKMAPTALDH1A1
SCHEMBL1922680 0.72 GCK (0.51) SMN1; SMN2GCKMAPTALDH1A1TBXA2R
SCHEMBL1922682 0.72 GCK (0.51) SMN1; SMN2GCKMAPTALDH1A1TBXA2R
SCHEMBL15839462 0.71 GCK (0.53) GCKMAPTALDH1A1MEN1KMT2A
SCHEMBL17273918 0.71 GCK (0.53) GCKMAPTALDH1A1MEN1KMT2A

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 RAB9A 2026/4885SMN1; SMN2 3041/4885LMNA 2448/4885

“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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