SCHEMBL4908044

SCHEMBL4908044

NN1CCC[C@@H](Cc2ccccc2OC(F)(F)F)[C@H]1c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 4/20 0.46
CYP2D6 P10635 4/20 0.41
SLC6A3 Q01959 5/20 0.39
DRD2 P14416 4/20 0.39
SLC6A2 P23975 3/20 0.39
KCNH2 Q12809 3/20 0.39
SLC6A4 P31645 2/20 0.39
CYP2C9 P11712 1/20 0.39
EPHX2 P34913 1/20 0.39
CYP2J2 P51589 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DPP4 P27487 1/20 0.37
CYP2C19 P33261 1/20 0.37
PDE2A O00408 1/20 0.36
SLC6A1 P30531 2/20 0.36
SCN9A Q15858 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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
Hydrochloric Acid SCHEMBL8694267 0.99 TACR1 (0.45) TACR1CYP2D6SLC6A3DRD2SLC6A2
SCHEMBL6702675 0.87 SLC6A2 (0.40) TACR1DRD2SLC6A2SLC6A4SCN9A
Hydrochloric Acid SCHEMBL4914596 0.86 SLC6A2 (0.40) TACR1DRD2SLC6A2KCNH2SLC6A4
SCHEMBL7256713 0.86 TACR1 (0.39) TACR1CYP2D6SLC6A3DRD2KCNH2
SCHEMBL27365754 0.85 TACR1 (0.53) TACR1CYP2D6MEN1KMT2A
SCHEMBL7257076 0.85 TACR1 (0.38) TACR1CYP2D6SLC6A3SLC6A2KCNH2
SCHEMBL6154253 0.85 TACR1 (0.39) TACR1CYP2D6SLC6A3KCNH2
Hydrochloric Acid SCHEMBL7837990 0.84 TACR1 (0.52) TACR1CYP2D6KCNH2MEN1KMT2A
SCHEMBL9420110 0.83 TACR1 (0.36) TACR1CYP2D6SLC6A3DRD2SLC6A2
SCHEMBL6931695 0.83 TACR1 (0.52) TACR1CYP2D6SLC6A3KCNH2MEN1

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 claimed
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC 2005-11-17 US claimed
EP-1027892-B1 Azithromycin combination for emesis control in dogs PFIZER PROD INC (US) 2005-08-17 EP claimed
US-20030199540-A1 Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles LOWE JOHN ADAMS (US) 2003-10-23 US claimed
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC. 2003-06-19 US claimed
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles PFIZER INC. 2002-03-21 US claimed
EP-1172106-A2 Use of fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles as substance P receptor antagonists Pfizer Products Inc. (US) 2002-01-16 EP claimed
EP-0589924-B1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER (US) 1996-09-04 EP claimed
EP-0589924-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES. PFIZER (US) 1994-04-06 EP claimed
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-5744480-A ANTIINFLAMMATORY AGENTS, NERVOUS SYSTEM DISORDERS PFIZER INC. (US) 1998-04-28 US 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 TACR1 517/4885CYP2D6 343/4885SLC6A3 255/4885
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR TACR1 41/4885CYP2D6 723/4885SLC6A3 78/4885
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 TACR1 212/4885CYP2D6 61/4885SLC6A3 46/4885
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 TACR1 212/4885CYP2D6 61/4885SLC6A3 46/4885
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles FPR3, CX3CR1, FPR1 TACR1 564/4885CYP2D6 319/4885SLC6A3 133/4885

“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.