SCHEMBL6739641

SCHEMBL6739641

C[C@H]1CCC[C@H](C)N1CCCCNC(=O)[C@@H]1CCCCN1c1nc2ccccc2o1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 6/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 5/20 0.45
TSHR P16473 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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 1.00 ALDH1A1 (0.60) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6740425 0.94 ALDH1A1 (0.58) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6734129 0.87 ALDH1A1 (0.51) ALDH1A1L3MBTL1TSHRMEN1KMT2A
SCHEMBL6738120 0.87 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6738470 0.87 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6735158 0.87 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6733748 0.84 ALDH1A1 (0.52) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6740943 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL6740952 0.84 ALDH1A1 (0.54) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT
SCHEMBL7460294 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1LMNASMN1; SMN2HTT

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 3971/4885LMNA 4322/4885

“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.