SCHEMBL6743268

SCHEMBL6743268

CC(C)(C)OC(=O)n1c(Cl)nc2cc(C(F)(F)F)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.42
PKM P14618 3/20 0.42
GPR119 Q8TDV5 2/20 0.41
NR1H2 P55055 1/20 0.40
CNR2 P34972 3/20 0.40
USP2 O75604 2/20 0.39
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
CNR1 P21554 1/20 0.38
AGPAT2 O15120 1/20 0.38
KCNMA1 Q12791 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.37
ACACB O00763 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL6742556 0.81 PKM (0.48) PKMCNR2USP2CNR1KCNMA1
SCHEMBL6742849 0.81 ALDH1A1 (0.45) NR1H2CNR2SMN1; SMN2
SCHEMBL6739160 0.79 MAP4K1 (0.37) NR1H2GABRG2GABRB3GABRA5SMN1; SMN2
SCHEMBL6733750 0.79 AURKA (0.36) NR1H2GABRG2GABRB3GABRA5
SCHEMBL4698252 0.79 SMN1; SMN2 (0.47) PKMNR1H2CNR2SMN1; SMN2MAPT
SCHEMBL19785401 0.77 GABRG2 (0.52) MAP2K4GPR119NR1H2GABRG2GABRB3
SCHEMBL6737748 0.77 BRD4 (0.41) NR1H2
SCHEMBL6737502 0.76 BRD4 (0.42) NR1H2CNR2CNR1SMN1; SMN2MAPT
SCHEMBL6734551 0.74 GABRG2 (0.47) NR1H2GABRG2GABRB3GABRA5
SCHEMBL4442924 0.73 ALOX5AP (0.41) NR1H2

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-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
EP-1098894-A1 FKBP INHIBITORS Pfizer Limited (GB) 2001-05-16 EP disclosed
US-6166011-A FKBP inhibitors PFIZER INC (US) 2000-12-26 US disclosed
WO-2000005231-A1 FKBP INHIBITORS PFIZER LIMITED (GB) 2000-02-03 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 (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 MAP2K4 4180/4885PKM 4154/4885GPR119 4000/4885

“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.