SCHEMBL3465527

SCHEMBL3465527

N#Cc1ccc2c(ccn2CC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
TSHR P16473 4/20 0.52
HSD17B10 Q99714 4/20 0.52
HPGD P15428 3/20 0.52
GLA P06280 1/20 0.52
HTT P42858 1/20 0.52
USP2 O75604 2/20 0.48
POLB P06746 1/20 0.48
NPY5R Q15761 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PPARG P37231 3/20 0.47
PPARD Q03181 6/20 0.46
P2RX7 Q99572 1/20 0.46
PRMT5 O14744 1/20 0.46
PPARA Q07869 5/20 0.45
MEN1 O00255 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
STAT3 P40763 1/20 0.41

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
SCHEMBL14632407 0.88 ALDH1A1 (0.65) KMT2AALDH1A1KDM4ETSHRHSD17B10
SCHEMBL7367613 0.85 KMO (0.52) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL3467553 0.84 KDM4E (0.41) KMT2AALDH1A1KDM4ETSHRHSD17B10
SCHEMBL8029435 0.83 ATM (0.53) KMT2AALDH1A1KDM4ETSHRHSD17B10
SCHEMBL413159 0.83 FFAR4 (0.55) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL5487411 0.81 P2RX7 (0.54) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL2470686 0.81 MAPT (0.48) KMT2AALDH1A1KDM4ETSHRHSD17B10
SCHEMBL30041872 0.81 PRMT5 (0.49) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL27844158 0.80 NPY5R (0.45) KMT2AALDH1A1KDM4ETSHRHSD17B10
Hydrochloric Acid SCHEMBL7367289 0.78 ALDH1A1 (0.47) KMT2AALDH1A1KDM4ETSHRHSD17B10

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 12 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
EP-2376484-B1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO SA (CH) 2015-04-22 EP disclosed
US-8741923-B2 Oxadiazole fused heterocyclic derivatives useful for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2014-06-03 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
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-2010069949-A1 OXADIAZOLE FUSED HETEROCYCLIC DERIVATIVES USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS MERCK SERONO S.A. (CH) 2010-06-24 WO disclosed
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 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-20130102576-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE3A, PDE4B KMT2A 3452/4885ALDH1A1 58/4885KDM4E 1220/4885

“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.