SCHEMBL3943261

SCHEMBL3943261

O=C(c1ccc2c(ccn2Cc2ccccc2)c1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.57
ACHE P22303 1/20 0.55
KDM4E B2RXH2 7/20 0.53
ALDH1A1 P00352 6/20 0.53
POLB P06746 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
KMT2A Q03164 1/20 0.51
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
NPC1 O15118 1/20 0.50
MGLL Q99685 1/20 0.50
HTT P42858 1/20 0.49

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
SCHEMBL3952217 0.90 HRH3 (0.58) HRH3KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL3383896 0.88 OXTR (0.48) HRH3ACHEKDM4EALDH1A1POLB
SCHEMBL3946642 0.88 KDM4E (0.57) HRH3KDM4EALDH1A1KMT2A
SCHEMBL3950725 0.87 HRH3 (0.51) HRH3KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL3388056 0.86 ACHE (0.51) HRH3ACHEKDM4EALDH1A1POLB
SCHEMBL3952642 0.86 HRH3 (0.58) HRH3KDM4EALDH1A1L3MBTL1MGLL
SCHEMBL3387912 0.85 KDM4E (0.60) HRH3ACHEKDM4EALDH1A1POLB
SCHEMBL3383846 0.85 KDM4E (0.49) HRH3ACHEKDM4EALDH1A1POLB
SCHEMBL3391345 0.84 OXTR (0.51) KDM4EALDH1A1POLBL3MBTL1KMT2A
SCHEMBL3388648 0.84 KDM4E (0.56) HRH3ACHEKDM4EALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101605757-A Be used for (indoles-4-yl) of obesity treatment-or (indoles-5-yl)-piperazinyl methanone derivatives HOFFMANN LA ROCHE (CH) 2009-12-16 CN claimed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 US claimed
CN-101605757-A Be used for (indoles-4-yl) of obesity treatment-or (indoles-5-yl)-piperazinyl methanone derivatives HOFFMANN LA ROCHE (CH) 2009-12-16 CN disclosed
US-7557108-B2 (Indol-4-yl) or (indol-5-yl)-piperazinylmethanones HOFFMANN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES F. HOFFMANN-LA ROCHE AG (CH) 2008-08-07 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 (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-20080188486-A1 (INDOL-4-YL) OR (INDOL-5-YL)-PIPERAZINYLMETHANONES HRH4, HRH3, H1-3 HRH3 2/4885ACHE 1068/4885KDM4E 818/4885

“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.