SCHEMBL4814099

SCHEMBL4814099

COc1ccc2[nH]cc(C3=CN4CCC3CC4)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.54
SLC6A4 P31645 2/20 0.51
NOS1 P29475 1/20 0.51
CHRM2 P08172 1/20 0.48
CHRM4 P08173 1/20 0.48
CHRM5 P08912 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47
MAPK1 P28482 1/20 0.47
BRCA1 P38398 1/20 0.47
HTR6 P50406 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4810898 0.81 NOS1 (0.53) SLC6A4NOS1CHRM2CHRM4CHRM5
SCHEMBL12253743 0.81 NOS1 (0.56) NOS1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4804340 0.78 NOS1 (0.53) FDFT1NOS1CHRM2CHRM4CHRM5
SCHEMBL4311598 0.77 CHRM2 (0.54) NOS1CHRM2CHRM4CHRM5CHRM1
SCHEMBL5432612 0.76 GPR84 (0.66) SLC6A4KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL1122492 0.76 SLC6A4 (0.52) SLC6A4NOS1CHRM2CHRM4CHRM5
SCHEMBL12253750 0.76 SLC6A4 (0.52) SLC6A4NOS1CHRM2CHRM4CHRM5
SCHEMBL7710792 0.73 HTR1D (0.67) SLC6A4CYP1A2CYP3A4MAPTHTR1D
SCHEMBL2264789 0.73 NOS1 (0.55) NOS1CHRM2CHRM4CHRM5CHRM1
SCHEMBL12367627 0.73 NOS1 (0.55) NOS1CHRM2CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132704-A1 3-Substituted quinuclidines and their use PETERS DAN 2008-06-05 US claimed
US-20050176756-A1 3-Substituted quinuclidines and their use NEUROSEARCH A/S (DK) 2005-08-11 US claimed
EP-1513839-A1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE NEUROSEARCH A/S (DK) 2005-03-16 EP claimed
WO-2003101987-A1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE NEUROSEARCH A/S (DK) 2003-12-11 WO claimed
US-20080132704-A1 3-Substituted quinuclidines and their use PETERS DAN 2008-06-05 US disclosed
US-7332507-B2 3-substituted quinuclidines and their use NEUROSEARCH A/S (DK) 2008-02-19 US disclosed
US-20050176756-A1 3-Substituted quinuclidines and their use NEUROSEARCH A/S (DK) 2005-08-11 US disclosed
EP-1513839-A1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE NEUROSEARCH A/S (DK) 2005-03-16 EP disclosed
WO-2003101987-A1 3-SUBSTITUTED QUINUCLIDINES AND THEIR USE NEUROSEARCH A/S (DK) 2003-12-11 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-20050176756-A1 3-Substituted quinuclidines and their use CHRNA3, CHRNA5, CHRNA6 FDFT1 3935/4885SLC6A4 78/4885NOS1 607/4885
US-20080132704-A1 3-Substituted quinuclidines and their use CHRNA3, CHRNA5, CHRM3 FDFT1 3457/4885SLC6A4 78/4885NOS1 731/4885

“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.