SCHEMBL4908019

SCHEMBL4908019

N[C@H]1CCC(=O)N[C@H]1c1cccc(OC(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADCYAP1R1 P41586 1/20 0.43
TP53 P04637 1/20 0.41
MDM2 Q00987 1/20 0.41
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 2/20 0.39
DDB1 Q16531 2/20 0.39
CRBN Q96SW2 2/20 0.39
NOTUM Q6P988 1/20 0.39
CETP P11597 4/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
DAO P14920 1/20 0.37
XDH P47989 1/20 0.37
SLC5A1 P13866 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
SCHEMBL4908028 1.00 ADCYAP1R1 (0.43) ADCYAP1R1TP53MDM2ABCC9ABCC8
SCHEMBL4908022 1.00 ADCYAP1R1 (0.43) ADCYAP1R1TP53MDM2ABCC9ABCC8
SCHEMBL4918345 0.81 TDP1 (0.64) ADCYAP1R1TP53MDM2ABCC9ABCC8
SCHEMBL4918337 0.81 TDP1 (0.64) ADCYAP1R1TP53MDM2ABCC9ABCC8
SCHEMBL4918351 0.81 TDP1 (0.64) ADCYAP1R1TP53MDM2ABCC9ABCC8
SCHEMBL8537684 0.75 TP53 (0.49) TP53MDM2TDP1DDB1CRBN
SCHEMBL2188994 0.75 TP53 (0.49) TP53MDM2TDP1DDB1CRBN
SCHEMBL8537685 0.75 TP53 (0.49) TP53MDM2TDP1DDB1CRBN
SCHEMBL2188979 0.75 TP53 (0.49) TP53MDM2TDP1DDB1CRBN
SCHEMBL2188987 0.75 TP53 (0.49) TP53MDM2TDP1DDB1CRBN

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 ADCYAP1R1 291/4885TP53 3812/4885MDM2 3696/4885
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR ADCYAP1R1 1093/4885TP53 4510/4885MDM2 3959/4885
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 ADCYAP1R1 75/4885TP53 3164/4885MDM2 2599/4885
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 ADCYAP1R1 75/4885TP53 3164/4885MDM2 2599/4885
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles FPR3, CX3CR1, FPR1 ADCYAP1R1 392/4885TP53 3838/4885MDM2 3733/4885

“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.