SCHEMBL6742888

SCHEMBL6742888

CC(C)Oc1ccc2nc(N3CCCC[C@H]3C(=O)NC(C)N3[C@H](C)CCC[C@@H]3C)oc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 1/20 0.36
ABL1 P00519 1/20 0.36
PTGES O14684 8/20 0.36

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
SCHEMBL6738920 0.89 ALDH1A1 (0.39) ALDH1A1L3MBTL1PTGESKMT2ASMN1; SMN2
SCHEMBL6742894 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1GABRPGABRDGABRA1
SCHEMBL6733296 0.84 ALDH1A1 (0.43) ALDH1A1L3MBTL1GABRPGABRDGABRA1
SCHEMBL7660515 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1GABRPGABRDGABRA1
SCHEMBL6740586 0.77 ELANE (0.38) ALDH1A1L3MBTL1KMT2AELANELMNA
SCHEMBL6734143 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1GABRPGABRDGABRA1
SCHEMBL6734139 0.76 ALDH1A1 (0.43) ALDH1A1L3MBTL1GABRPGABRDGABRA1
SCHEMBL6738211 0.73 GABRP (0.42) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL7458474 0.72 GABRP (0.36) ALDH1A1L3MBTL1GABRPGABRDGABRA1
SCHEMBL6738923 0.71 ALDH1A1 (0.46) ALDH1A1L3MBTL1PTGESKMT2ASMN1; SMN2

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 3971/4885GABRP 887/4885

“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.