SCHEMBL6411599

SCHEMBL6411599

CN1CCN(C(=O)c2ccccc2B(O)O)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
KMT2A Q03164 2/20 0.59
TSHR P16473 5/20 0.54
LMNA P02545 3/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.52
HTT P42858 2/20 0.51
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
KDM4E B2RXH2 1/20 0.50
RAB9A P51151 1/20 0.50
RECQL P46063 1/20 0.50
CYP2C9 P11712 1/20 0.49
GRM5 P41594 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL29954605 0.93 HTT (0.58) L3MBTL1KMT2ATSHRLMNATP53
SCHEMBL10722273 0.87 L3MBTL1 (0.74) L3MBTL1KMT2ATSHRLMNATP53
SCHEMBL7010056 0.86 L3MBTL1 (0.60) L3MBTL1KMT2ATSHRLMNATP53
SCHEMBL4443752 0.86 TSHR (0.62) L3MBTL1KMT2ATSHRLMNAPOLB
SCHEMBL29956909 0.86 HTT (0.64) L3MBTL1KMT2ATSHRPOLBHTT
SCHEMBL3758627 0.81 ALDH1A1 (0.63) KMT2ATSHRTP53HTTALDH1A1
SCHEMBL29956307 0.81 ALDH1A1 (0.63) KMT2ATSHRTP53HTTALDH1A1
SCHEMBL28271013 0.81 L3MBTL1 (0.66) L3MBTL1KMT2ATSHRLMNATP53
SCHEMBL11887769 0.81 L3MBTL1 (0.81) L3MBTL1KMT2ATSHRALOX15POLB
SCHEMBL4548030 0.81 HTT (0.77) L3MBTL1KMT2APOLBMAPTHTT

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
US-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2005-05-26 US disclosed
US-6818646-B2 1,2,3,4-TETRAHYDRO-2-(5-(2-PYRIDINYL)-PYRIMIDIN-2-YL)-3-(2,3 -DIHYDROBENZOFURANYL)-9H-PYRROLO-(3,4-B)QUINOLIN-9-ONE; MALE ERECTILE DYSFUNCTION; SEXUAL DISORDERS SUI ZHIHUA (US) 2004-11-16 US disclosed
EP-1296981-B1 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO MCNEIL PHARM INC (US) 2004-10-06 EP disclosed
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors SUI ZHIHUA (US) 2004-03-04 US disclosed
US-6635638-B2 Treatment of sexual dysfunction, cardiovascular system disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-10-21 US disclosed
EP-1296981-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-01-24 US disclosed
WO-2001087882-A2 SUBSTITUTED PYRROLOPYRIDINONE DERIVATIVES USEFUL AS PHOSPHODIESTERASE INHIBITORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-11-22 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 (3 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-20050113402-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B L3MBTL1 4867/4885KMT2A 3106/4885TSHR 3736/4885
US-20040044021-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B L3MBTL1 4866/4885KMT2A 3200/4885TSHR 3713/4885
US-20020010183-A1 Substituted pyrrolopyridinone derivatives useful as phosphodiesterase inhibitors PDE5A, PDE3A, PDE3B L3MBTL1 4866/4885KMT2A 3200/4885TSHR 3713/4885

“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.