SCHEMBL1719673

SCHEMBL1719673

O[C@@H]1C[C@@H]1c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.56
▸ HTR2C P28335 8/20 0.56
▸ MAOA P21397 7/20 0.56
▸ KDM1A O60341 5/20 0.56
▸ CYP2C19 P33261 4/20 0.56
▸ CYP2B6 P20813 3/20 0.56
▸ CYP1A2 P05177 2/20 0.56
▸ CYP2D6 P10635 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TAAR1 Q96RJ0 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HTR1A P08908 1/20 0.56
▸ ADRA2A P08913 1/20 0.56
▸ CYP2A6 P11509 1/20 0.56
▸ SLC6A2 P23975 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56

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
SCHEMBL5359549 1.00 MAOB (0.56) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL12953786 1.00 MAOB (0.56) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL11379683 0.82 MAOB (0.50) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL14748111 0.82 MAOB (0.41) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL25567622 0.80 SLC6A3 (0.40) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL2261976 0.79 MAOB (0.65) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL8845464 0.79 MAOB (0.65) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL10540521 0.79 MAOB (0.65) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL7053772 0.79 MAOB (0.52) MAOBHTR2CMAOAKDM1ACYP2C19
SCHEMBL23083083 0.79 MAOB (0.46) MAOBHTR2CMAOAKDM1ACYP2C19

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-1819708-B1 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2012-01-11 — — EP disclosed
US-7648988-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2010-01-19 — — US disclosed
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases DOLLINGER HORST 2008-06-26 — — US disclosed
EP-1819708-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-08-22 — — EP disclosed
WO-2006058868-A2 SUBSTITUTED PTERIDINES FOR TREATING INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-08 — — WO disclosed
US-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 — — 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-20060116370-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 MAOB 716/4885HTR2C 1704/4885MAOA 1481/4885
US-20080153833-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 MAOB 716/4885HTR2C 1704/4885MAOA 1481/4885

“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.

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