SCHEMBL862970

SCHEMBL862970

COC(=O)CCCC1CCN(Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
GLA P06280 1/20 0.41
HDAC3 O15379 5/20 0.40
HDAC4 P56524 5/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC7 Q8WUI4 5/20 0.40
HDAC2 Q92769 5/20 0.40
HDAC10 Q969S8 5/20 0.40
HDAC11 Q96DB2 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC9 Q9UKV0 5/20 0.40
HDAC5 Q9UQL6 5/20 0.40
EPHX2 P34913 3/20 0.38
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL8258898 0.85 TSHR (0.47) TSHRSMN1; SMN2GLAHDAC3HDAC4
SCHEMBL4942582 0.84 TSHR (0.58) TSHRSMN1; SMN2GLAEPHX2ALDH1A1
SCHEMBL14086615 0.82 TSHR (0.44) TSHRSMN1; SMN2GLAHDAC3HDAC4
SCHEMBL14086619 0.82 TSHR (0.44) TSHRSMN1; SMN2GLAHDAC3HDAC4
SCHEMBL8885696 0.80 TSHR (0.54) TSHRSMN1; SMN2EPHX2EPHX1ALDH1A1
SCHEMBL14086618 0.80 HDAC3 (0.46) TSHRSMN1; SMN2GLAHDAC3HDAC4
SCHEMBL14086622 0.80 TP53 (0.51) TSHRSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL29294424 0.80 SMN1; SMN2 (0.49) TSHRSMN1; SMN2GLAEPHX2ALDH1A1
SCHEMBL863016 0.79 ITGB3 (0.50) SMN1; SMN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL560936 0.79 EPHX2 (0.53) TSHRSMN1; SMN2EPHX2EPHX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143256-B2 5-(4-{4-[A7-(3,5-diamino-6-chloropyrazine-2 carbonyl)guanadio]butyl}-piperazin-1-yl)pentanoic acid (3-dimethylaminopropyl) amide; hydration of mucosal surfaces; Chronic bronchitis; cystic fibrosis; more potent; absorbed slower; target kidney in treating cardiovascular disease; diuretics PARION SCIENCES, INC. (US) 2012-03-27 US disclosed
US-20080096896-A1 Cyclic Amide & Ester Pyrazinoylganidine Sodium Channel Blockers PARION SCIENCES, INC. (US) 2008-04-24 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 (1 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-20080096896-A1 Cyclic Amide & Ester Pyrazinoylganidine Sodium Channel Blockers HCN4, CACNA1B, SCN5A TSHR 2553/4885SMN1; SMN2 2531/4885GLA 3655/4885

“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.