SCHEMBL4918201

SCHEMBL4918201

NN1CCC[C@@H](Cc2cccc(OC(F)(F)F)c2)[C@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ DRD1 P21728 1/20 0.41
▸ DRD5 P21918 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ EPHX1 P07099 1/20 0.41
▸ CHRM3 P20309 1/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ SIGMAR1 Q99720 2/20 0.39
▸ TACR1 P25103 2/20 0.39
▸ OPRM1 P35372 1/20 0.39
▸ HCRTR1 O43613 2/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ NOTUM Q6P988 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL27389644 1.00 DRD4 (0.41) DRD4DRD2DRD1DRD5DRD3
Hydrochloric Acid SCHEMBL4917162 0.99 DRD4 (0.41) DRD4DRD2DRD1DRD5DRD3
SCHEMBL27295071 0.84 CYP2C9 (0.41) CARM1PRMT6
SCHEMBL27295072 0.84 CYP2C9 (0.41) CARM1PRMT6
SCHEMBL27300413 0.84 CYP2C9 (0.41) CARM1PRMT6
SCHEMBL4907101 0.82 TACR1 (0.51) SIGMAR1TACR1MEN1KMT2A
Hydrochloric Acid SCHEMBL4919498 0.81 TACR1 (0.50) SIGMAR1TACR1MEN1KMT2A
SCHEMBL4908044 0.81 TACR1 (0.46) DRD2TACR1HCRTR1HCRTR2SCN9A
SCHEMBL4913542 0.80 TACR1 (0.52) SIGMAR1TACR1HCRTR1HCRTR2MEN1
SCHEMBL6700500 0.80 TACR1 (0.52) SIGMAR1TACR1HCRTR1HCRTR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7110850-B2 — マツダ株式会社 2022-08-02 — — JP claimed
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-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 — — US claimed
US-20030199540-A1 Fluoroalkyoxybenzylamino derivatives of nitrogen containing heterocycles LOWE JOHN ADAMS (US) 2003-10-23 — — US claimed
JP-2003523941-A — — 2003-08-12 — — JP 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-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 — — 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 claimed
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 — — WO claimed
EP-0589924-B1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER (US) 1996-09-04 — — EP claimed
WO-1993000331-A1 FLUOROALKOXYBENZYLAMINO DERIVATIVES OF NITROGEN CONTAINING HETEROCYCLES PFIZER INC. (US) 1993-01-07 — — WO claimed
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors PFIZER INC 2004-11-18 — — US disclosed
EP-1178784-A1 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS Pfizer Products Inc. (US) 2002-02-13 — — EP 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
WO-2000071107-A2 NEW PHARMACEUTICAL COMBINATIONS FOR NOS INHIBITORS PFIZER PRODUCTS INC. (US) 2000-11-30 — — 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 (6 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 DRD4 329/4885DRD2 315/4885DRD1 249/4885
US-20080132538-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles NMUR2, NMUR1, NMBR DRD4 1005/4885DRD2 779/4885DRD1 1169/4885
US-20020035147-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 DRD4 1467/4885DRD2 1213/4885DRD1 1405/4885
US-20030114439-A1 Pharmaceutical uses for fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles AQP4, NAT1, CNR1 DRD4 1467/4885DRD2 1213/4885DRD1 1405/4885
US-20040229911-A1 New pharmaceutical combinations for NOS inhibitors NOS1, NOS3, NPBWR1 DRD4 716/4885DRD2 255/4885DRD1 83/4885
US-20050256162-A1 Fluoroalkoxybenzylamino derivatives of nitrogen containing heterocycles FPR3, CX3CR1, FPR1 DRD4 276/4885DRD2 519/4885DRD1 628/4885

“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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