SCHEMBL2055599

SCHEMBL2055599

O=C(CCCCN1CCCCCC1)Nc1cc(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 5/20 0.68
KCNH2 Q12809 3/20 0.53
CHRNA7 P36544 1/20 0.51
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HTR4 Q13639 1/20 0.50
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL2055596 1.00 CHRNA3 (0.68) CHRNA3KCNH2CHRNA7ADRA2AADRA2B
SCHEMBL2055646 0.97 CHRNA3 (0.64) CHRNA3KCNH2CHRNA7ADRA2AADRA2B
SCHEMBL1858599 0.97 CHRNA3 (0.64) CHRNA3KCNH2CHRNA7ADRA2AADRA2B
SCHEMBL2055734 0.96 CHRNA3 (0.62) CHRNA3KCNH2CHRNA7HDAC3HDAC4
SCHEMBL2055623 0.91 CHRNA3 (0.56) CHRNA3KCNH2
SCHEMBL2055606 0.91 CHRNA3 (0.56) CHRNA3KCNH2
SCHEMBL2055600 0.90 CHRNA3 (0.68) CHRNA3KCNH2
SCHEMBL2055597 0.90 KCNH2 (0.58) CHRNA3KCNH2CHRNA7HDAC3HDAC4
SCHEMBL2055626 0.89 CHRNA3 (0.55) CHRNA3KCNH2
SCHEMBL2055607 0.89 CHRNA3 (0.55) CHRNA3KCNH2

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 CHRNA3 5/4885KCNH2 1263/4885CHRNA7 1/4885
US-20100130474-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS CHRNA7, CHRNA6, CHRNA2 CHRNA3 5/4885KCNH2 909/4885CHRNA7 1/4885

“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.