SCHEMBL3320233

SCHEMBL3320233

CN1CCN(c2cccc(C(=O)Cl)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.59
PLOD3 O60568 1/20 0.59
PLOD1 Q02809 1/20 0.59
ADRA2C P18825 1/20 0.56
HTR2C P28335 3/20 0.54
HDAC3 O15379 3/20 0.54
HDAC4 P56524 3/20 0.54
HDAC1 Q13547 3/20 0.54
HDAC7 Q8WUI4 3/20 0.54
HDAC2 Q92769 3/20 0.54
HDAC10 Q969S8 3/20 0.54
HDAC11 Q96DB2 3/20 0.54
HDAC8 Q9BY41 3/20 0.54
HDAC6 Q9UBN7 3/20 0.54
HDAC9 Q9UKV0 3/20 0.54
HDAC5 Q9UQL6 3/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL1286697 0.85 PLOD2 (0.60) PLOD2PLOD3PLOD1ADRA2CHTR2C
SCHEMBL3319386 0.85 ALDH1A1 (0.73) PLOD2PLOD3PLOD1ADRA2CHTR2C
SCHEMBL30760618 0.85 ADRA2C (0.62) PLOD2PLOD3PLOD1ADRA2CHTR2C
SCHEMBL1397689 0.85 ADRA2C (0.62) PLOD2PLOD3PLOD1ADRA2CHTR2C
SCHEMBL29631156 0.85 ALDH1A1 (0.73) PLOD2PLOD3PLOD1ADRA2CHTR2C
SCHEMBL27746847 0.85 ALDH1A1 (0.72) KDM4EMEN1ALDH1A1GAAHPGD
Hydrochloric Acid SCHEMBL16209753 0.84 ADRA2C (0.60) PLOD2PLOD3PLOD1ADRA2CHTR2C
Hydrochloric Acid SCHEMBL30760605 0.84 ADRA2C (0.60) PLOD2PLOD3PLOD1ADRA2CHTR2C
SCHEMBL27767932 0.83 ALDH1A1 (0.70) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL29053020 0.83 PLOD2 (0.58) PLOD2PLOD3PLOD1ADRA2CHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED 2010-04-29 US disclosed
EP-2118106-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS Glaxo Group Limited (GB) 2009-11-18 EP disclosed
EP-2028182-A1 Cysteine protease inhibitors GLAXO GROUP LIMITED (GB) 2009-02-25 EP disclosed
WO-2008107368-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS GLAXO GROUP LIMITED (GB) 2008-09-12 WO 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-20100105652-A1 PURINES AS CYSTEINE PROTEASE INHIBITORS CPN1, SERPINB1, PNP PLOD2 3992/4885PLOD3 3381/4885PLOD1 3439/4885

“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.