SCHEMBL6806983

SCHEMBL6806983

COc1cc2c(cc1OC)CN(CC(=O)O)CC2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
ALDH1A1 P00352 8/20 0.63
NPSR1 Q6W5P4 1/20 0.63
KMT2A Q03164 6/20 0.60
ATM Q13315 1/20 0.60
MEN1 O00255 4/20 0.59
RAB9A P51151 2/20 0.59
KDM4E B2RXH2 8/20 0.59
LMNA P02545 2/20 0.59
MAPT P10636 5/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
ABCB1 P08183 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.55
GFER P55789 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55

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
Hydrochloric Acid SCHEMBL14876546 0.98 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPSR1KMT2AATM
SCHEMBL9425191 0.89 L3MBTL1 (0.51) L3MBTL1ALDH1A1NPSR1KMT2AATM
SCHEMBL12226493 0.88 L3MBTL1 (0.72) L3MBTL1ALDH1A1NPSR1KMT2AATM
SCHEMBL14876328 0.87 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPSR1KMT2AATM
SCHEMBL5456103 0.87 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPSR1KMT2AATM
SCHEMBL2799283 0.85 MAPT (0.66) L3MBTL1ALDH1A1KMT2AMEN1RAB9A
SCHEMBL7799385 0.81 ITGB3 (0.58)
SCHEMBL913887 0.80 ABCB1 (0.67) L3MBTL1ALDH1A1KMT2ARAB9AKDM4E
SCHEMBL22782416 0.80 PDE4D (0.58) L3MBTL1ALDH1A1NPSR1KMT2AATM
SCHEMBL6369583 0.79 ABCB1 (0.69) L3MBTL1ALDH1A1KMT2ARAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2768822-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-12-06 EP disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
US-9024027-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-05 US disclosed
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 US disclosed
WO-2013057013-A2 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 WO disclosed
US-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-25 US disclosed
US-6747042-B2 N-HETEROCYCLIC DERIVATIVES USEFUL FOR TREATING OR PREVENTING NEURONAL DAMAGE ASSOCIATED WITH NEUROLOGICAL DISEASE VERTEX PHARMACEUTICALS INCORPORATED 2004-06-08 US disclosed
US-20020107241-A1 N-heterocyclic derivatives VERTEX PHARMACEUTICALS INCORPORATED 2002-08-08 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-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3A, PDE4B L3MBTL1 4089/4885ALDH1A1 58/4885NPSR1 2475/4885
US-20020107241-A1 N-heterocyclic derivatives NLN, INA, BDNF L3MBTL1 2617/4885ALDH1A1 358/4885NPSR1 584/4885

“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.