SCHEMBL6741469

SCHEMBL6741469

Cc1cc2nc(N3CCCC[C@H]3C(=O)NCCN3[C@H](C)CCC[C@@H]3C)oc2cc1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
ALOX15 P16050 1/20 0.41
PTGES O14684 7/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 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
SCHEMBL6738465 0.90 ALDH1A1 (0.42) L3MBTL1ALDH1A1KMT2AMEN1ALOX15
SCHEMBL7460302 0.88 ALDH1A1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1ALOX15
SCHEMBL7460294 0.88 ALDH1A1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1ALOX15
SCHEMBL6738927 0.88 ALDH1A1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1ALOX15
SCHEMBL6738923 0.88 ALDH1A1 (0.46) L3MBTL1ALDH1A1KMT2AMEN1ALOX15
SCHEMBL6738568 0.87 ALDH1A1 (0.45) L3MBTL1ALDH1A1PTGES
SCHEMBL6740425 0.86 ALDH1A1 (0.58) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6734129 0.85 ALDH1A1 (0.51) L3MBTL1ALDH1A1KMT2AMEN1ALOX15
SCHEMBL6734139 0.84 ALDH1A1 (0.43) L3MBTL1ALDH1A1KMT2AMEN1ALOX15
SCHEMBL6733296 0.84 ALDH1A1 (0.43) L3MBTL1ALDH1A1KMT2ASMN1; SMN2KDM4E

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
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

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 L3MBTL1 3971/4885ALDH1A1 983/4885KMT2A 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.