SCHEMBL1640874

SCHEMBL1640874

C/N=C1\CN2CCC1CC2

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 17/20 0.47
CHRM2 P08172 13/20 0.47
CHRM3 P20309 5/20 0.47
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL16684570 1.00 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL16693090 1.00 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL7811397 0.76 CHRM1 (0.42) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL231364 0.76 CHRM1 (0.42) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL231365 0.76 CHRM1 (0.42) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL16684597 0.76 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL16693185 0.76 CHRM3 (0.47) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL16684596 0.76 CHRM1 (0.47) CHRM1CHRM2CHRM3CHRNB2CHRNA4
SCHEMBL9040889 0.76 CHRM1 (0.79) CHRM1CHRM2CHRM3
SCHEMBL9040900 0.76 CHRM1 (0.79) CHRM1CHRM2CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
WO-2015066371-A1 SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF α-7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2015-05-07 WO disclosed
US-8304545-B2 Quinuclidine derivative useful in the preparation of mequitazine PIERRE FABRE MEDICAMENT (FR) 2012-11-06 US disclosed
US-8158784-B2 Quinuclidine derivative useful in the preparation of mequitazine PIERRE FABRE MEDICAMENT (FR) 2012-04-17 US disclosed
US-20120088917-A1 NEW QUINUCLIDINE DERIVATIVE USEFUL IN THE PREPARATION OF MEQUITAZINE MIOSKOWSKI CHARLES (FR) 2012-04-12 US disclosed
US-20100105897-A1 NOVEL QUINUCLIDINE DERIVATIVE USEFUL IN THE PREPARATION OF MEQUITAZINE PIERRE FABRE MEDICAMENT (FR) 2010-04-29 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 (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-20120088917-A1 NEW QUINUCLIDINE DERIVATIVE USEFUL IN THE PREPARATION OF MEQUITAZINE AZI2, NQO2, SIRT5 CHRM1 64/4885CHRM2 31/4885CHRM3 63/4885
US-20100105897-A1 NOVEL QUINUCLIDINE DERIVATIVE USEFUL IN THE PREPARATION OF MEQUITAZINE AZI2, NQO2, SIRT5 CHRM1 94/4885CHRM2 64/4885CHRM3 93/4885

“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.