SCHEMBL2009889

SCHEMBL2009889

O=C(CN1CCCNCC1)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
GAA P10253 2/20 0.50
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 1/20 0.48
RAB9A P51151 1/20 0.48
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPC1 O15118 1/20 0.42
BIRC2 Q13490 1/20 0.42
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Hydrochloric Acid SCHEMBL2008380 0.98 HSD17B10 (0.59) HSD17B10ALOX15TSHRGAAKDM4E
SCHEMBL255444 0.93 HSD17B10 (0.69) HSD17B10ALOX15TSHRGAAKDM4E
SCHEMBL2073211 0.93 HSD17B10 (0.69) HSD17B10ALOX15TSHRGAAKDM4E
Hydrochloric Acid SCHEMBL1156139 0.92 HSD17B10 (0.67) HSD17B10ALOX15TSHRGAAKDM4E
SCHEMBL13893263 0.90 HSD17B10 (0.65) HSD17B10ALOX15TSHRGAAKDM4E
SCHEMBL4817626 0.86 HSD17B10 (0.75) HSD17B10ALOX15TSHRGAAKDM4E
SCHEMBL23507546 0.84 HSD17B10 (0.77) HSD17B10ALOX15TSHRGAAKDM4E
SCHEMBL30920967 0.84 HSD17B10 (0.77) HSD17B10ALOX15TSHRGAAKDM4E
SCHEMBL11922747 0.83 HSD17B10 (0.74) HSD17B10ALOX15TSHRGAAKDM4E
SCHEMBL209616 0.81 GAA (0.63) HSD17B10ALOX15TSHRGAAKDM4E

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-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-7964724-B2 Chiral cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2011-06-21 US disclosed
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES FOTOUHI NADER 2009-06-04 US disclosed
US-20090143364-A1 CHIRAL CIS-IMIDAZOLINES FOTOUHI NADER 2009-06-04 US disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
EP-1753727-B1 NOVEL CIS-IMIDAZOLINES HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
US-20050288287-A1 Chiral cis-imidazolines FOTOUHI NADER 2005-12-29 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 (2 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-20090143364-A1 CHIRAL CIS-IMIDAZOLINES TP53, MDM2, TP53BP1 HSD17B10 4219/4885ALOX15 4824/4885TSHR 1791/4885
US-20050288287-A1 Chiral cis-imidazolines TP53, MDM2, TP53BP1 HSD17B10 4219/4885ALOX15 4824/4885TSHR 1791/4885

“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.