SCHEMBL521774

SCHEMBL521774

OC1c2[c]cccc2Oc2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
ATM Q13315 2/20 0.41
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
CYP2C9 P11712 1/20 0.38
LMNA P02545 2/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
USP2 O75604 1/20 0.36
MAPT P10636 3/20 0.35

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
SCHEMBL8492933 0.80 MAOA (0.44) MAOAMAOBATMHDAC3HDAC4
SCHEMBL5808750 0.79 MAOA (0.42) MAOAMAOBATMHDAC3HDAC4
SCHEMBL521775 0.78 MAOA (1.00) MAOAMAOBATMHDAC3HDAC4
SCHEMBL29419966 0.78 MAOA (1.00) MAOAMAOBATMHDAC3HDAC4
SCHEMBL7161766 0.76 MAOA (0.35) MAOAMAOBCYP2C9KMT2AMEN1
SCHEMBL28681589 0.76 MAOA (0.95) MAOAMAOBATMHDAC3HDAC4
SCHEMBL22615 0.76 CYP2C9 (0.42) MAOAMAOBATMHDAC3HDAC4
SCHEMBL7840975 0.72 KMT2A (0.35) MAOAMAOBHDAC3HDAC4HDAC7
SCHEMBL2721424 0.70 MAOA (0.74) MAOAMAOBATMHDAC3HDAC4
SCHEMBL2796781 0.68 HTR2A (0.42) MAOAMAOBHDAC4HDAC7HDAC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528921-A2 7-AZONIABICYCLO [2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF Theron Pharmaceuticals, Inc. (US) 2012-12-05 EP claimed
US-20120029044-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS INC. 2012-02-02 US claimed
WO-2011094434-A2 7-AZONIABICYCLO [2.2.1] HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. (US) 2011-08-04 WO claimed
CN-104744480-B 7-azoniabicyclo [2.2.1] heptane derivatives, process for their preparation, and their pharmaceutical use 西伦制药公司 2021-02-12 CN disclosed
EP-2528921-B1 7-AZONIABICYCLO [2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS INC (US) 2017-10-18 EP disclosed
US-20160296497-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. 2016-10-13 US disclosed
US-9320731-B2 7-azoniabicyclo[2.2.1]heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS, INC. (US) 2016-04-26 US disclosed
US-20140249195-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC (US) 2014-09-04 US disclosed
US-8742134-B2 7-azoniabicyclo[2.2.1]heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-8742131-B2 7-azoniabicyclo [2.2.1] heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20130157989-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. (US) 2013-06-20 US disclosed
US-8426611-B2 7-azoniabicyclo[2.2.1]heptane derivatives, methods of production, and pharmaceutical uses thereof THERON PHARMACEUTICALS INC. (US) 2013-04-23 US disclosed
US-20130059898-A1 7-AZONIABICYCLO [2.2.1] HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. (US) 2013-03-07 US disclosed
EP-2528921-A2 7-AZONIABICYCLO [2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF Theron Pharmaceuticals, Inc. (US) 2012-12-05 EP disclosed
US-20120029044-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS INC. 2012-02-02 US disclosed
WO-2011094434-A2 7-AZONIABICYCLO [2.2.1] HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF THERON PHARMACEUTICALS, INC. (US) 2011-08-04 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 (5 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-20140249195-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 MAOA 498/4885MAOB 389/4885ATM 2883/4885
US-20130059898-A1 7-AZONIABICYCLO [2.2.1] HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 MAOA 601/4885MAOB 366/4885ATM 2401/4885
US-20160296497-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 MAOA 498/4885MAOB 389/4885ATM 2883/4885
US-20130157989-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 MAOA 570/4885MAOB 385/4885ATM 2945/4885
US-20120029044-A1 7-AZONIABICYCLO[2.2.1]HEPTANE DERIVATIVES, METHODS OF PRODUCTION, AND PHARMACEUTICAL USES THEREOF CHRM3, CHRM2, CHRM1 MAOA 570/4885MAOB 385/4885ATM 2945/4885

“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.