SCHEMBL4907101

SCHEMBL4907101

NN1CCC[C@@H](Cc2cc(OC(F)(F)F)ccc2O)[C@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 13/20 0.51
▸ FFAR4 Q5NUL3 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ HTR2B P41595 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ IL1B P01584 3/20 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
Hydrochloric Acid SCHEMBL4919498 0.99 TACR1 (0.50) TACR1FFAR4CYP2D6KCNH2HTR1A
SCHEMBL6931695 0.86 TACR1 (0.52) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL6700500 0.86 TACR1 (0.52) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4913542 0.86 TACR1 (0.52) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL7254534 0.85 TACR1 (0.43) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4918429 0.85 TACR1 (0.45) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL4913478 0.85 TACR1 (0.53) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL4915866 0.85 TACR1 (0.45) TACR1CYP2D6KCNH2HTR1AHTR2A
Hydrochloric Acid SCHEMBL4918611 0.84 TACR1 (0.45) TACR1CYP2D6KCNH2HTR1AHTR2A
SCHEMBL8694736 0.84 TACR1 (0.54) TACR1CYP2D6KCNH2HTR1AHTR2A

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 8 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
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-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

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 517/4885FFAR4 1010/4885CYP2D6 343/4885
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR TACR1 41/4885FFAR4 1242/4885CYP2D6 723/4885
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 TACR1 212/4885FFAR4 2527/4885CYP2D6 61/4885
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 TACR1 212/4885FFAR4 2527/4885CYP2D6 61/4885
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles FPR3, CX3CR1, FPR1 TACR1 564/4885FFAR4 1038/4885CYP2D6 319/4885

“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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