SCHEMBL6733860

SCHEMBL6733860

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.56
CHRNA7 P36544 1/20 0.52
HTR3A P46098 1/20 0.52
LMNA P02545 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
TSHR P16473 1/20 0.52
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 1/20 0.47
GABRP O00591 1/20 0.47
GABRD O14764 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47

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
SCHEMBL7685083 1.00 ELANE (0.56) ELANECHRNA7HTR3ALMNASMN1; SMN2
Hydrochloric Acid SCHEMBL7654203 0.99 ELANE (0.55) ELANECHRNA7HTR3ALMNASMN1; SMN2
SCHEMBL2316032 0.96 ELANE (0.60) ELANECHRNA7HTR3ALMNASMN1; SMN2
SCHEMBL2313692 0.96 ELANE (0.60) ELANECHRNA7HTR3ALMNASMN1; SMN2
SCHEMBL7846334 0.89 ELANE (0.67) ELANECHRNA7HTR3ALMNASMN1; SMN2
SCHEMBL27479845 0.85 LMNA (0.51) ELANECHRNA7HTR3ALMNASMN1; SMN2
SCHEMBL6737804 0.84 GABRP (0.50) ELANESMN1; SMN2MAPTHCRTR1HCRTR2
SCHEMBL6738108 0.83 GABRP (0.51) ELANEHCRTR1HCRTR2GABRPGABRD
SCHEMBL6737810 0.83 PTGES (0.56) HCRTR1HCRTR2GABRPGABRDGABRA1
SCHEMBL6734526 0.83 ELANE (0.44) ELANELMNASMN1; SMN2MAPTHTT

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1611499-A Heterocyclic compounds as inhibitors of rotamase enzymes PFIZER (US) 2005-05-04 CN disclosed
CN-1174978-C Heterocyclic compounds useful as rotamase inhibitors 2004-11-10 CN disclosed
CN-1511837-A Intermediate for heterocyclic compound in preparing rotamase inhibitor 2004-07-14 CN disclosed
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-6562964-B1 Inhibitors of rotamase enzymes in particular FKBP-12 and FKBP-52. The compounds therefore moderate neuronal regeneration and outgrowth and can be used for treating neurological disorders arising from neurodegenerative diseases or other disorders PFIZER INC 2003-05-13 US disclosed
EP-1100797-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LTD (GB) 2003-02-26 EP 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
US-6372736-B1 ENZYME INHIBITORS PFIZER INC 2002-04-16 US disclosed
CN-1315951-A FKBP inhibitors PFIZER LTD (US) 2001-10-03 CN disclosed
CN-1310718-A Heterocyclic compounds useful as rotamase inhibitors PFIZER LTD (US) 2001-08-29 CN disclosed
EP-1100797-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES Pfizer Limited (GB) 2001-05-23 EP disclosed
EP-1098894-A1 FKBP INHIBITORS Pfizer Limited (GB) 2001-05-16 EP disclosed
US-6166011-A FKBP inhibitors PFIZER INC (US) 2000-12-26 US disclosed
WO-2000005231-A1 FKBP INHIBITORS PFIZER LIMITED (GB) 2000-02-03 WO disclosed
WO-2000005232-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES PFIZER LIMITED (GB) 2000-02-03 WO 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 ELANE 4209/4885CHRNA7 2420/4885HTR3A 1915/4885

“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.