Sugi Predict

Sugi Predict / Compounds / SCHEMBL6740586

SCHEMBL6740586

SCHEMBL6740586

COC(=O)c1cccc2nc(N3CCCC[C@H]3C(=O)NC(C)N3[C@H](C)CCC[C@@H]3C)oc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ HTR3A P46098 6/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL6740591 0.83 ALDH1A1 (0.41) ELANEALDH1A1KDM4EHTR3AL3MBTL1
SCHEMBL6734500 0.83 ALDH1A1 (0.41) ELANEALDH1A1KDM4EHTR3AL3MBTL1
SCHEMBL7808542 0.82 ELANE (0.47) ELANEALDH1A1KDM4EHTR3AHPGD
SCHEMBL6733037 0.82 ELANE (0.47) ELANEALDH1A1KDM4EHTR3AHPGD
SCHEMBL6738920 0.78 ALDH1A1 (0.39) ELANEALDH1A1L3MBTL1KMT2AMAPT
SCHEMBL6742888 0.77 ALDH1A1 (0.37) ELANEALDH1A1KDM4EL3MBTL1KMT2A
SCHEMBL7660515 0.76 ALDH1A1 (0.46) ELANEALDH1A1HTR3AL3MBTL1KMT2A
SCHEMBL6740425 0.65 ALDH1A1 (0.58) ELANEALDH1A1KDM4EL3MBTL1HSD17B10
SCHEMBL27479845 0.65 LMNA (0.51) ELANEALDH1A1HTR3AL3MBTL1KMT2A
SCHEMBL1003484 0.63 ELANE (0.50) ELANEKDM4EHTR3AHSD17B10

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 6 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
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 ELANE 4209/4885ALDH1A1 983/4885KDM4E 4205/4885

“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.