SCHEMBL12658239

SCHEMBL12658239

CN1CCN(Cc2ccc(O)c(O)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
MC4R P32245 1/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
CHKA P35790 5/20 0.53
CA2 P00918 1/20 0.50
NCF1 P14598 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
POLB P06746 1/20 0.48
GFER P55789 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL108090 0.91 CA1 (0.54) ALDH1A1KDM4EMAPTCA2POLB
SCHEMBL1394191 0.86 LMNA (0.53) LMNAMC4RALDH1A1KDM4EMAPT
SCHEMBL15692591 0.86 ALDH1A1 (0.48) ALDH1A1KDM4ECHKAHDAC6HSP90AA1
SCHEMBL15495062 0.85 CHKA (0.58) LMNAMC4RALDH1A1KDM4EMAPT
SCHEMBL2928518 0.85 LMNA (0.51) LMNAMC4RALDH1A1KDM4EMAPT
SCHEMBL13886163 0.84 ESR1 (0.53) LMNAALDH1A1KDM4ECA2POLB
SCHEMBL7379184 0.83 HRH3 (0.59) ALDH1A1KDM4ECA2PRMT6POLB
SCHEMBL9996727 0.82 KDM4E (0.64) LMNAALDH1A1KDM4EMAPTGFER
SCHEMBL12432171 0.82 SIGMAR1 (0.64) LMNAMC4RALDH1A1POLB
SCHEMBL14496336 0.80 HRH3 (0.67) L3MBTL1

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
EP-1322622-B1 NEW N, N'-DISUBSTITUTED BENZIMIDAZOLONE DERIVATIVES WITH AFFINITY AT THE SEROTONIN AND DOPAMINE RECEPTORS SPROUT PHARMACEUTICALS INC (US) 2012-10-31 EP disclosed
EP-1633724-B1 PHTHALAZINONE DERIVATIVES KUDOS PHARM LTD (GB) 2011-05-04 EP disclosed
EP-0819000-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2009-07-08 EP disclosed
EP-1935887-A1 Heterocyclic substituted carbonyl derivatives and their use as dopamine D3 receptor ligands Aventis Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
US-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use IPSEN PHARMA S.A.S. (FR) 2007-02-22 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-20070043095-A1 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SSTR2, SSTR5, SSTR3 LMNA 4079/4885MC4R 43/4885ALDH1A1 812/4885

“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.