SCHEMBL6734129

SCHEMBL6734129

Cc1ccc2oc(N3CCCC[C@H]3C(=O)NCCCN3[C@H](C)CCC[C@@H]3C)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTGES O14684 1/20 0.40

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
SCHEMBL6740194 0.87 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMEN1CYP3A4
SCHEMBL6739641 0.87 ALDH1A1 (0.60) ALDH1A1L3MBTL1KMT2AMEN1CYP3A4
SCHEMBL6738568 0.86 ALDH1A1 (0.45) ALDH1A1L3MBTL1HPGDPTGES
SCHEMBL6741469 0.85 L3MBTL1 (0.43) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL6740425 0.84 ALDH1A1 (0.58) ALDH1A1L3MBTL1KMT2AMEN1CYP3A4
SCHEMBL6738465 0.82 ALDH1A1 (0.42) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL6738923 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL6738927 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL7460294 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1ALOX15
SCHEMBL7460302 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1KMT2AMEN1ALOX15

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 5 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

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.