SCHEMBL6739627

SCHEMBL6739627

O=C(NCCNC(=O)[C@@H]1CCCCN1c1nc2ccccc2o1)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.52
MAPT P10636 5/20 0.52
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HTT P42858 2/20 0.45
ELANE P08246 2/20 0.42
FKBP1A P62942 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PREP P48147 2/20 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
SCHEMBL6733533 0.83 LMNA (0.52) LMNAMAPTALDH1A1L3MBTL1TSHR
SCHEMBL6737762 0.81 ALDH1A1 (0.60) LMNAMAPTALDH1A1L3MBTL1TSHR
SCHEMBL6733860 0.77 ELANE (0.56) LMNAMAPTALDH1A1L3MBTL1TSHR
SCHEMBL7685083 0.77 ELANE (0.56) LMNAMAPTALDH1A1L3MBTL1TSHR
SCHEMBL6738470 0.77 ALDH1A1 (0.54) LMNAMAPTALDH1A1L3MBTL1TSHR
SCHEMBL6735158 0.77 ALDH1A1 (0.54) LMNAMAPTALDH1A1L3MBTL1TSHR
SCHEMBL6740943 0.77 ALDH1A1 (0.54) LMNAMAPTALDH1A1L3MBTL1TSHR
SCHEMBL6740952 0.77 ALDH1A1 (0.54) LMNAMAPTALDH1A1L3MBTL1TSHR
SCHEMBL6971418 0.76 LMNA (0.54) LMNAMAPTALDH1A1TSHRSMN1; SMN2
SCHEMBL6740194 0.76 ALDH1A1 (0.60) LMNAMAPTALDH1A1L3MBTL1TSHR

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 7 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
CN-1315951-A FKBP inhibitors PFIZER LTD (US) 2001-10-03 CN 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 LMNA 4322/4885MAPT 11/4885ALDH1A1 983/4885

“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.