SCHEMBL4721986

SCHEMBL4721986

CC(C)(C)OC(=O)N1CCN(c2ccc3occc3c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
PDK2 Q15119 1/20 0.49
PHGDH O43175 1/20 0.48
GPR119 Q8TDV5 6/20 0.47
NAMPT P43490 1/20 0.47
ADORA2A P29274 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C19 P33261 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
MMP2 P08253 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
ABCB1 P08183 1/20 0.45

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
SCHEMBL29509737 1.00 MAPT (0.53) MAPTALDH1A1LMNAPDK2PHGDH
Ethoxycarbonyl Group SCHEMBL28606371 0.90 MAPT (0.44) MAPTALDH1A1LMNAPDK2PHGDH
SCHEMBL1769434 0.80 ALDH1A1 (0.50) MAPTALDH1A1LMNAGPR119
SCHEMBL29881025 0.80 ALDH1A1 (0.50) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL31023642 0.80 CYP3A4 (0.44) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL12663220 0.80 ALDH1A1 (0.50) MAPTALDH1A1LMNAGPR119
SCHEMBL1888484 0.80 ALDH1A1 (0.50) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL5573222 0.80 MAPT (0.76) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL15535375 0.79 GPR119 (0.60) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL28572326 0.79 MAPT (0.56) MAPTALDH1A1LMNAPDK2GPR119

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
EP-1396487-B1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-12-10 EP disclosed
US-7196080-B2 Respiratory system disordeers; chronic obstructive pulminary disease ASTELLAS PHARMA INC. (JP) 2007-03-27 US disclosed
US-20040192701-A1 Phenlypyridine carbonyl piperazine derivative ASTELLAS PHARMA INC. (JP) 2004-09-30 US disclosed
EP-1396487-A1 PHENYLPYRIDINE CARBONYL PIPERAZINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-03-10 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-20040192701-A1 Phenlypyridine carbonyl piperazine derivative PDE5A, PDE4A, PDE3B MAPT 4798/4885ALDH1A1 77/4885LMNA 3464/4885

“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.