SCHEMBL2085334

SCHEMBL2085334

O=C(O)C1(c2ccncc2)CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
AKR1C1 Q04828 1/20 0.47
LMNA P02545 4/20 0.45
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MAP4K4 O95819 1/20 0.45
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC1 Q13547 1/20 0.40
HSD11B1 P28845 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5 P09917 1/20 0.39

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
SCHEMBL700243 0.87 AKR1C1 (0.55) ALDH1A1AKR1C1LMNATSHRNPSR1
Hydrochloric Acid SCHEMBL23779012 0.85 AKR1C1 (0.53) ALDH1A1AKR1C1LMNATSHRNPSR1
SCHEMBL4827944 0.83 AKR1C1 (0.68) ALDH1A1AKR1C1LMNATSHRNPSR1
SCHEMBL1627580 0.83 AKR1C1 (0.68) ALDH1A1AKR1C1LMNATSHRNPSR1
SCHEMBL29514621 0.81 AKR1C1 (0.66) ALDH1A1AKR1C1LMNATSHRNPSR1
SCHEMBL7338024 0.79 AKR1C1 (0.47) ALDH1A1AKR1C1LMNATSHRNPSR1
SCHEMBL196949 0.79 POLB (0.56) ALDH1A1AKR1C1LMNATSHRNPSR1
SCHEMBL2325209 0.79 HDAC1 (0.55) ALDH1A1AKR1C1LMNATSHRNPSR1
SCHEMBL22090138 0.79 HDAC1 (0.53) ALDH1A1AKR1C1LMNATSHRNPSR1
SCHEMBL15897259 0.79 ALDH1A1 (0.49) ALDH1A1AKR1C1LMNATSHRNPSR1

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
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 US disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 ALDH1A1 39/4885AKR1C1 471/4885LMNA 2165/4885

“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.