SCHEMBL2055698

SCHEMBL2055698

O=C(CCCN1CCCOCC1)Nc1cc(-c2ccc(Cl)cc2Cl)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.52
CACNA1G O43497 6/20 0.48
GSK3A P49840 1/20 0.47
GSK3B P49841 1/20 0.47
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45

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
SCHEMBL2055675 0.97 ALPL (0.55) ALPLCACNA1GGSK3AGSK3BITGB2
SCHEMBL2055667 0.92 ALPL (0.53) ALPLCACNA1GGSK3AGSK3B
SCHEMBL2055663 0.91 ALPL (0.53) ALPLCACNA1GGSK3AGSK3B
SCHEMBL2055683 0.91 ALPL (0.53) ALPLCACNA1GGSK3AGSK3B
SCHEMBL2055697 0.88 GSK3A (0.53) CACNA1GGSK3AGSK3B
SCHEMBL2055618 0.84 GSK3A (0.51) CACNA1GGSK3AGSK3B
SCHEMBL2055684 0.84 CHRNA3 (0.49) CACNA1GGSK3AGSK3B
SCHEMBL2055740 0.83 CACNA1G (0.46) CACNA1GGSK3AGSK3B
SCHEMBL2055758 0.83 KCNH2 (0.54) ALPLCACNA1GGSK3AGSK3B
SCHEMBL2055717 0.82 KCNH2 (0.46) CACNA1GGSK3AGSK3B

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
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-8163729-B2 Modulators of α7 nicotinic acetylcholine receptors and therapeutic uses thereof WYETH (US) 2012-04-24 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS WYETH (US) 2010-05-27 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 US disclosed
US-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF WYETH (US) 2010-02-04 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-20100029606-A1 MODULATORS OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTORS AND THERAPEUTIC USES THEREOF CHRNA7, CHRNA2, CHRNA6 ALPL 3280/4885CACNA1G 416/4885GSK3A 677/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 ALPL 4210/4885CACNA1G 291/4885GSK3A 509/4885

“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.