SCHEMBL7475308

SCHEMBL7475308

CCOC(=O)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
KDM4E B2RXH2 3/20 0.66
POLB P06746 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.62
TSHR P16473 2/20 0.62
GAA P10253 1/20 0.62
CYP2C19 P33261 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MAPK1 P28482 2/20 0.62
PKM P14618 1/20 0.61
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
ALOX15 P16050 1/20 0.60
TDP1 Q9NUW8 1/20 0.60

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
SCHEMBL9819725 0.94 ALDH1A1 (0.64) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL9819832 0.88 MEN1 (0.68) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL317705 0.87 ADORA3 (0.57) ALDH1A1KDM4EPOLBSMN1; SMN2MAPK1
SCHEMBL22122723 0.86 ALDH1A1 (0.57) ALDH1A1KDM4EL3MBTL1SMN1; SMN2TSHR
SCHEMBL11093397 0.86 DRD2 (0.70) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR
SCHEMBL10735376 0.86 ALDH1A1 (0.64) ALDH1A1KDM4EL3MBTL1SMN1; SMN2TSHR
SCHEMBL4466600 0.85 ALDH1A1 (0.59) ALDH1A1KDM4EPOLBSMN1; SMN2HSD17B10
SCHEMBL8472994 0.84 LMNA (0.60) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2
SCHEMBL7658562 0.84 L3MBTL1 (0.68) ALDH1A1POLBL3MBTL1SMN1; SMN2TSHR
SCHEMBL587589 0.84 ALDH1A1 (0.62) ALDH1A1KDM4EPOLBL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110059969-A1 PIPERAZINES AS ANTI-OBESITY AGENTS ASTRAZENECA AB (SE) 2011-03-10 US disclosed
US-20110046135-A1 NEW COMPOUNDS I ASTRAZENECA AB (PUBL) (SE) 2011-02-24 US disclosed
WO-1997044334-A2 NOVEL PIPERAZINE OR HOMOPIPERAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND A PROCESS FOR THEIR PREPARATION EGIS Gyógyszergyár Rt. (HU) 1997-11-27 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 (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-20110046135-A1 NEW COMPOUNDS I GPR119, GLP1R, FABP4 ALDH1A1 2089/4885KDM4E 3535/4885POLB 3624/4885
US-20110059969-A1 PIPERAZINES AS ANTI-OBESITY AGENTS GPR119, FABP4, ADIPOR2 ALDH1A1 1389/4885KDM4E 1707/4885POLB 2874/4885

“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.