SCHEMBL2126019

SCHEMBL2126019

NC(=O)CCCn1ccc(-c2cccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.46
HDAC1 Q13547 5/20 0.46
HDAC2 Q92769 5/20 0.46
HDAC4 P56524 3/20 0.46
HDAC7 Q8WUI4 3/20 0.46
HDAC10 Q969S8 3/20 0.46
HDAC11 Q96DB2 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC6 Q9UBN7 3/20 0.46
HDAC9 Q9UKV0 3/20 0.46
HDAC5 Q9UQL6 3/20 0.46
AR P10275 2/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
NAMPT P43490 4/20 0.42
NCOR2 Q9Y618 2/20 0.42
FYN P06241 2/20 0.41
ALDH1A1 P00352 2/20 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
SCHEMBL1385992 0.83 NAMPT (0.44) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL27487465 0.83 NAMPT (0.43) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5017381 0.82 NAMPT (0.42) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5015503 0.82 CYP2A6 (0.44) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5025530 0.82 NAMPT (0.42) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL5016843 0.81 AR (0.45) ARMKNK1MKNK2NAMPTFYN
SCHEMBL27535692 0.80 CYP2A6 (0.44) ARNAMPTFYNALDH1A1CYP1A2
SCHEMBL5017240 0.79 CYP2A6 (0.43) ARFYNALDH1A1CYP1A2CYP2C19
SCHEMBL4260988 0.79 CYP2A6 (0.43) ARNAMPTFYNALDH1A1CYP1A2
SCHEMBL4260991 0.79 FYN (0.43) ARFYNALDH1A1CYP1A2CYP2C19

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-8735388-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2014-05-27 US disclosed
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS ABBVIE B.V.A (NL) 2014-03-20 US disclosed
US-8586606-B2 Heterocyclic compounds with affinity to muscarinic receptors ABBVIE B.V. (NL) 2013-11-19 US disclosed
US-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS SOLVAY PHARMACEUTICALS B.V. 2012-04-19 US disclosed
US-8084473-B2 Heterocyclic compounds with affinity to muscarinic receptors SOLVAY PHARMACEUTICALS B.V. (NL) 2011-12-27 US disclosed
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors ABBVIE B.V. (NL) 2009-01-15 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 (3 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-20120095039-A1 HETEROCYCLIC COMPOUNDS WITH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM5, CHRM2 HDAC3 1035/4885HDAC1 1148/4885HDAC2 1994/4885
US-20140080861-A1 HETEROCYCLIC COMPOUNDS IWTH AFFINITY TO MUSCARINIC RECEPTORS CHRM3, CHRM4, CHRM5 HDAC3 1606/4885HDAC1 1594/4885HDAC2 3250/4885
US-20090018160-A1 Heterocyclic Compounds with Affinity to Muscarinic Receptors CHRM3, CHRM2, CHRM1 HDAC3 609/4885HDAC1 2023/4885HDAC2 2104/4885

“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.