SCHEMBL4930102

SCHEMBL4930102

O=C(c1ccccc1)N1CCC2(CC1)CCN(C1CCC1)CC2

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.75
L3MBTL3 Q96JM7 9/20 0.67
L3MBTL1 Q9Y468 7/20 0.67
KDM4E B2RXH2 2/20 0.66
POLB P06746 1/20 0.66
ALDH1A1 P00352 1/20 0.66
CHRM2 P08172 1/20 0.57
CHRM3 P20309 1/20 0.57
MBTD1 Q05BQ5 4/20 0.55
TP53BP1 Q12888 1/20 0.55
L3MBTL4 Q8NA19 1/20 0.55

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
SCHEMBL4938741 0.86 HRH3 (0.58) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL4138929 0.86 HRH3 (0.58) HRH3L3MBTL3L3MBTL1KDM4EPOLB
SCHEMBL2846135 0.86 HRH3 (1.00) HRH3L3MBTL3L3MBTL1KDM4EPOLB
SCHEMBL2844224 0.83 HRH3 (0.93) HRH3L3MBTL3L3MBTL1KDM4EPOLB
SCHEMBL10726916 0.82 KDM4E (0.94) HRH3L3MBTL3L3MBTL1KDM4EPOLB
SCHEMBL4147049 0.81 L3MBTL3 (0.67) HRH3L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL10293557 0.80 L3MBTL3 (1.00) L3MBTL3L3MBTL1KDM4EPOLBALDH1A1
SCHEMBL4130681 0.80 L3MBTL3 (0.66) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL4139958 0.80 L3MBTL3 (0.66) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL10293600 0.80 KDM4E (0.79) HRH3L3MBTL3L3MBTL1KDM4EPOLB

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
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US claimed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
US-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION 2008-10-09 US disclosed
WO-2007133561-A2 SUBSTITUTED AZASPIRO DERIVATIVES NEUROGEN CORPORATION (US) 2007-11-22 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-20080247964-A1 SUBSTITUTED AZASPIRO DERIVATIVES HRH3, HRH4, HRH1 HRH3 1/4885L3MBTL3 2655/4885L3MBTL1 2620/4885

“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.