SCHEMBL4804340

SCHEMBL4804340

C1=C(c2c[nH]c3ccc(-c4ccccc4)cc23)C2CCN1CC2

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.53
CHRM2 P08172 13/20 0.49
CHRM4 P08173 13/20 0.49
CHRM5 P08912 13/20 0.49
CHRM1 P11229 13/20 0.49
CHRM3 P20309 13/20 0.49
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
PIM1 P11309 2/20 0.41
PIM3 Q86V86 2/20 0.41
FDFT1 P37268 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL4311598 0.83 CHRM2 (0.54) NOS1CHRM2CHRM4CHRM5CHRM1
SCHEMBL12253743 0.81 NOS1 (0.56) NOS1CHRM2CHRM4CHRM5CHRM1
SCHEMBL4814099 0.78 FDFT1 (0.54) NOS1CHRM2CHRM4CHRM5CHRM1
SCHEMBL1122492 0.76 SLC6A4 (0.52) NOS1CHRM2CHRM4CHRM5CHRM1
SCHEMBL12253750 0.76 SLC6A4 (0.52) NOS1CHRM2CHRM4CHRM5CHRM1
SCHEMBL24022684 0.74 IMPDH2 (0.61) PIM1PIM3PIM2
SCHEMBL18552149 0.74 IMPDH2 (0.61) PIM1PIM3PIM2
SCHEMBL18552198 0.74 IMPDH2 (0.61) PIM1PIM3PIM2
SCHEMBL12367627 0.73 NOS1 (0.55) NOS1CHRM2CHRM4CHRM5CHRM1
SCHEMBL2264789 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 NOS1 607/4885CHRM2 20/4885CHRM4 19/4885
US-20080132704-A1 3-Substituted quinuclidines and their use CHRNA3, CHRNA5, CHRM3 NOS1 731/4885CHRM2 20/4885CHRM4 21/4885

“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.