SCHEMBL4199149

SCHEMBL4199149

c1ccc2c(c1)nnn2OC1CN2CCC1CC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.49
CHRM1 P11229 5/20 0.49
CHRM3 P20309 5/20 0.49
CHRM4 P08173 2/20 0.49
CHRM5 P08912 2/20 0.49
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CHRNA7 P36544 3/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
POLB P06746 1/20 0.40
ALOX15 P16050 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL10072556 0.76 TSHR (0.51) TSHRNPSR1RXFP1POLBALOX15
SCHEMBL8401072 0.73 TSHR (0.49) TSHRNPSR1RXFP1POLBALOX15
SCHEMBL4812144 0.72 USP2 (0.43) CHRM2CHRM1TSHRNPSR1ACHE
SCHEMBL3024121 0.71 SLC9A1 (0.47) TSHRNPSR1RXFP1POLBACHE
SCHEMBL28340453 0.69 TSHR (0.42) TSHRNPSR1RXFP1POLBALOX15
SCHEMBL28931791 0.69 SLC9A1 (0.42) CHRM1TSHRNPSR1RXFP1CHRNA7
SCHEMBL14062479 0.68 TSHR (0.58) TSHRNPSR1RXFP1POLBNPC1
SCHEMBL4198068 0.68 CHRM2 (0.70) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL29389351 0.68 TSHR (0.61) TSHRNPSR1RXFP1POLBNPC1
SCHEMBL736439 0.68 TSHR (0.61) TSHRNPSR1RXFP1POLBNPC1

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-20090005390-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S 2009-01-01 US claimed
US-20050245567-A1 Novel quinuclidine derivatives and their use NEUROSEARCH A/S (DK) 2005-11-03 US claimed
EP-1532144-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2005-05-25 EP claimed
WO-2004016608-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2004-02-26 WO claimed
US-20090005390-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S 2009-01-01 US disclosed
EP-1905771-A2 Quinuclidine derivatives and their use NeuroSearch A/S (DK) 2008-04-02 EP disclosed
US-20050245567-A1 Novel quinuclidine derivatives and their use NEUROSEARCH A/S (DK) 2005-11-03 US disclosed
EP-1532144-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2005-05-25 EP disclosed
WO-2004016608-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE NEUROSEARCH A/S (DK) 2004-02-26 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-20090005390-A1 NOVEL QUINUCLIDINE DERIVATIVES AND THEIR USE ACHE, CHRNA5, CHRNA3 CHRM2 20/4885CHRM1 28/4885CHRM3 10/4885
US-20050245567-A1 Novel quinuclidine derivatives and their use ACHE, CHRNA5, CHRNA3 CHRM2 20/4885CHRM1 28/4885CHRM3 10/4885

“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.