SCHEMBL6742894

SCHEMBL6742894

CC(C)Oc1ccc2nc(N3CCCC[C@H]3C(=O)NCCN3C(C)CCCC3C)oc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TP53 P04637 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 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
SCHEMBL6733296 1.00 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL6734143 0.92 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL6734139 0.92 ALDH1A1 (0.43) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL7460302 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL6738927 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL6738923 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL7460294 0.88 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2ANPC1RAB9A
SCHEMBL6740425 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2ALMNAHTT
SCHEMBL6742888 0.84 ALDH1A1 (0.37) ALDH1A1L3MBTL1KMT2ALMNAHTT
SCHEMBL6741469 0.84 L3MBTL1 (0.43) ALDH1A1L3MBTL1KMT2ANPC1RAB9A

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 4 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
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 3971/4885KMT2A 4746/4885

“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.