SCHEMBL4919841

SCHEMBL4919841

O=C1CCC([N+](=O)[O-])C(c2ccccc2OC(F)(F)F)N1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.69
RAB9A P51151 1/20 0.62
GAA P10253 1/20 0.62
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
POLB P06746 2/20 0.54
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
GRIN2B Q13224 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL4919848 1.00 ATM (0.69) ATMRAB9AGAAKMT2AMEN1
SCHEMBL4919831 1.00 ATM (0.69) ATMRAB9AGAAKMT2AMEN1
SCHEMBL8901705 0.81 RAB9A (0.67) ATMRAB9AGAAKMT2AMEN1
SCHEMBL4919833 0.78 ALDH1A1 (0.64) ATMRAB9AGAAKMT2AMEN1
SCHEMBL9024919 0.77 GAA (1.00) ATMRAB9AGAAKMT2AMEN1
SCHEMBL5748304 0.77 RAB9A (0.71) ATMRAB9AGAAKMT2AMEN1
SCHEMBL5748307 0.77 RAB9A (0.71) ATMRAB9AGAAKMT2AMEN1
SCHEMBL5748309 0.77 RAB9A (0.71) ATMRAB9AGAAKMT2AMEN1
SCHEMBL4918351 0.77 TDP1 (0.64) ATMRAB9AGAAKMT2AMEN1
SCHEMBL4918337 0.77 TDP1 (0.64) ATMRAB9AGAAKMT2AMEN1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2008-06-05 US disclosed
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2005-11-17 US disclosed
US-20030199540-A1 Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles LOWE JOHN ADAMS (US) 2003-10-23 US disclosed
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC. 2003-06-19 US disclosed
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC. 2002-03-21 US disclosed
EP-1172106-A2 Use of fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles as substance P receptor antagonists Pfizer Products Inc. (US) 2002-01-16 EP disclosed
US-5773450-A ANTIINFLAMMATORY AGENTS, CENTRAL NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-06-30 US disclosed
US-5744480-A ANTIINFLAMMATORY AGENTS, NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-04-28 US disclosed
EP-0589924-B1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER (US) 1996-09-04 EP disclosed
EP-0589924-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES. PFIZER (US) 1994-04-06 EP disclosed
WO-1993000331-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1993-01-07 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 (5 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-20030199540-A1 Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles FPR1, OPRK1, CNR1 ATM 2467/4885RAB9A 1932/4885GAA 2512/4885
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR ATM 4126/4885RAB9A 2170/4885GAA 1703/4885
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 ATM 3743/4885RAB9A 1642/4885GAA 313/4885
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 ATM 3743/4885RAB9A 1642/4885GAA 313/4885
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles FPR3, CX3CR1, FPR1 ATM 2474/4885RAB9A 1954/4885GAA 2355/4885

“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.