SCHEMBL6742849

SCHEMBL6742849

COc1ccc2c(c1)nc(Cl)n2C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
BRD4 O60885 2/20 0.42
NR1H2 P55055 4/20 0.41
TDP1 Q9NUW8 1/20 0.40
ACSS2 Q9NR19 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
CNR2 P34972 1/20 0.39
TBXA2R P21731 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DYRK1A Q13627 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
HPGDS O60760 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
SCHEMBL18765270 0.86 BRD4 (0.46) ALDH1A1BRD4NR1H2TDP1TBXA2R
SCHEMBL25736833 0.85 ALDH1A1 (0.45) ALDH1A1BRD4NR1H2TDP1ACSS2
SCHEMBL6740180 0.82 ALDH1A1 (0.45) ALDH1A1TDP1ACSS2AKR1C3AKR1C2
SCHEMBL6743268 0.81 MAP2K4 (0.42) NR1H2CNR2SMN1; SMN2
SCHEMBL4698252 0.80 SMN1; SMN2 (0.47) ALDH1A1NR1H2CNR2L3MBTL1SMN1; SMN2
SCHEMBL6733750 0.80 AURKA (0.36) NR1H2
SCHEMBL1284355 0.79 PDE2A (0.40) ALDH1A1BRD4
SCHEMBL6739160 0.77 MAP4K1 (0.37) NR1H2SMN1; SMN2POLBHTT
SCHEMBL6737502 0.77 BRD4 (0.42) ALDH1A1BRD4NR1H2CNR2SMN1; SMN2
SCHEMBL6737748 0.75 BRD4 (0.41) BRD4NR1H2TBXA2R

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 ALDH1A1 983/4885BRD4 2288/4885NR1H2 1263/4885

“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.