SCHEMBL6733622

SCHEMBL6733622

O=C(O)[C@@H]1CCCCN1c1nc2cc(C(F)(F)F)ccc2o1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGES O14684 4/20 0.49
KMT2A Q03164 1/20 0.44
CNR2 P34972 4/20 0.43
ELANE P08246 2/20 0.42
HCRTR1 O43613 2/20 0.42
HCRTR2 O43614 2/20 0.42
HDAC11 Q96DB2 1/20 0.42
SYK P43405 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
PTGS2 P35354 1/20 0.39
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39

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
SCHEMBL6738108 0.85 GABRP (0.51) PTGESELANEHCRTR1HCRTR2PTGS2
SCHEMBL6737804 0.84 GABRP (0.50) PTGESKMT2AELANEHCRTR1HCRTR2
SCHEMBL27559144 0.84 ALDH1A1 (0.44) PTGESCNR2ELANEPTGS2
SCHEMBL6737810 0.83 PTGES (0.56) PTGESHCRTR1HCRTR2PTGS2
SCHEMBL6733860 0.80 ELANE (0.56) KMT2AELANEHCRTR1HCRTR2
SCHEMBL7685083 0.80 ELANE (0.56) KMT2AELANEHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL7654203 0.79 ELANE (0.55) KMT2AELANEHCRTR1HCRTR2
SCHEMBL6733180 0.78 MAPT (0.45) PTGESELANEPDCD1CD274
SCHEMBL2316032 0.77 ELANE (0.60) KMT2AELANEHCRTR1HCRTR2
SCHEMBL2313692 0.77 ELANE (0.60) KMT2AELANEHCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040058905-A1 Immunosuppressants; Alzheimer's diseases; central nervous system disorders; strokes PFIZER INC. 2004-03-25 US disclosed
US-6686357-B1 BENZIMIDAZOLO-PIPERIDINE COMPOUND PFIZER, INC. 2004-02-03 US disclosed
US-6509464-B1 1-Heteroaryl-pyrrolidine, piperidine, or homopiperidine derivates; nervous system disorder treatment; amidation PFIZER INC 2003-01-21 US disclosed
US-6495549-B1 1-HETEROARYL-PIPERIDINE DERIVATIVES; MODERATING NEURONAL DEGENERATION; PROMOTING NEURONAL REGENERATION AND OUTGROWTH; TREATOG NEUROLOGICAL DISORDERS ARISING FROM NEURODEGENERATIVE DISEASES OR OTHER DISORDERS INVOLVING NERVE DAMAGE PFIZER INC 2002-12-17 US disclosed
EP-1098894-B1 FKBP INHIBITORS PFIZER LTD (GB) 2002-10-02 EP disclosed
CN-1315951-A FKBP inhibitors PFIZER LTD (US) 2001-10-03 CN disclosed
US-6166011-A FKBP inhibitors PFIZER INC (US) 2000-12-26 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 (1 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-20040058905-A1 Immunosuppressants; Alzheimer's diseases; central nervous system disorders; strokes FKBP1A, FKBP4, FKBP1B PTGES 2301/4885KMT2A 4746/4885CNR2 544/4885

“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.