SCHEMBL6734500

SCHEMBL6734500

COC(=O)c1cccc2nc(N3CCCC[C@H]3C(=O)NCCN3[C@H](C)CCC[C@@H]3C)oc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HTR3A P46098 4/20 0.38
ELANE P08246 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.35

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 1.00 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EMAPK1HSD17B10
SCHEMBL6740425 0.84 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4EMAPK1HSD17B10
SCHEMBL6740586 0.83 ELANE (0.38) ALDH1A1L3MBTL1KDM4EHSD17B10HTR3A
SCHEMBL7808542 0.81 ELANE (0.47) ALDH1A1KDM4EHSD17B10HTR3AELANE
SCHEMBL6733037 0.81 ELANE (0.47) ALDH1A1KDM4EHSD17B10HTR3AELANE
SCHEMBL7460294 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EMAPK1HSD17B10
SCHEMBL6738923 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EMAPK1HSD17B10
SCHEMBL6740194 0.78 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMEN1CYP1A2
SCHEMBL6739641 0.78 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMEN1CYP1A2
SCHEMBL7460302 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EMAPK1HSD17B10

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 ALDH1A1 983/4885L3MBTL1 3971/4885KDM4E 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.