SCHEMBL980358

SCHEMBL980358

O=C1CCc2ccc(OCCCCBr)cc21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.63
BRD4 O60885 1/20 0.62
MAOB P27338 8/20 0.51
MAOA P21397 4/20 0.48
PBRM1 Q86U86 1/20 0.44

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
SCHEMBL4744393 0.87 MAOB (0.64) HRH3BRD4MAOBMAOA
SCHEMBL979739 0.86 HRH3 (0.64) HRH3BRD4MAOBMAOAPBRM1
SCHEMBL16471646 0.85 HRH3 (0.63) HRH3BRD4MAOBMAOAPBRM1
SCHEMBL12921977 0.85 BRD4 (0.66) HRH3BRD4MAOBMAOA
SCHEMBL15085354 0.84 BRD4 (0.69) HRH3BRD4MAOBMAOA
SCHEMBL8651866 0.84 BRD4 (0.64) HRH3BRD4MAOBMAOA
SCHEMBL9948198 0.83 HRH3 (0.64) HRH3BRD4MAOBMAOAPBRM1
SCHEMBL12525843 0.82 HRH3 (0.63) HRH3BRD4MAOBMAOA
SCHEMBL7398994 0.82 MAOB (0.62) HRH3BRD4MAOBMAOA
SCHEMBL8652023 0.81 BRD4 (0.65) HRH3BRD4MAOBMAOAPBRM1

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
US-7872132-B2 Intermediates useful for the preparation of aripiprazole and methods for the preparation of the novel intermediates and aripiprazole SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-18 US disclosed
US-7872132-B2 Intermediates useful for the preparation of aripiprazole and methods for the preparation of the novel intermediates and aripiprazole SUVEN LIFE SCIENCES LIMITED (IN) 2011-01-18 US disclosed
CN-101068789-B Novel intermediate for preparing aripiprazole, preparation method thereof, and preparation method of aripiprazole SUVEN LIFESCIENCES LTD 2010-12-15 CN disclosed
US-20090203907-A1 Novel intermediates useful for the preparation of aripiprazole and methods for the preparation of the novel intermediates and aripiprazole SUVEN LIFE SCIENCES LIMITED (IN) 2009-08-13 US disclosed
US-20090203907-A1 Novel intermediates useful for the preparation of aripiprazole and methods for the preparation of the novel intermediates and aripiprazole SUVEN LIFE SCIENCES LIMITED (IN) 2009-08-13 US disclosed
US-20080299216-A1 DEUTERIUM-ENRICHED ARIPIPRAZOLE PROTIA, LLC (US) 2008-12-04 US disclosed
US-20080299216-A1 DEUTERIUM-ENRICHED ARIPIPRAZOLE PROTIA, LLC (US) 2008-12-04 US disclosed
EP-1812395-B1 METHOD FOR THE PREPARATION OF ARIPIPRAZOLE, AND CORRESPONDING INTERMEDIATES AND THEIR PREPARATION SUVEN LIFE SCIENCES LTD (IN) 2008-05-21 EP disclosed
CN-101068789-A Novel intermediate for preparing aripiprazole, preparation method thereof, and preparation method of aripiprazole SUVEN LIFESCIENCES LTD (IN) 2007-11-07 CN disclosed
EP-1812395-A1 METHOD FOR THE PREPARATION OF ARIPIPRAZOLE, AND CORRESPONDING INTERMEDIATES AND THEIR PREPARATION Suven Life Sciences Limited (IN) 2007-08-01 EP disclosed
WO-2006038220-A1 NOVEL INTERMEDIATES USEFUL FOR THE PREPARATION OF ARIPIPRAZOLE AND METHODS FOR THE PREPARATION OF THE NOVEL INTERMEDIATES AND ARIPIPRAZOLE SUVEN LIFE SCIENCES LIMITED (IN) 2006-04-13 WO disclosed
WO-2006038220-A1 NOVEL INTERMEDIATES USEFUL FOR THE PREPARATION OF ARIPIPRAZOLE AND METHODS FOR THE PREPARATION OF THE NOVEL INTERMEDIATES AND ARIPIPRAZOLE SUVEN LIFE SCIENCES LIMITED (IN) 2006-04-13 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 (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-20090203907-A1 Novel intermediates useful for the preparation of aripiprazole and methods for the preparation of the novel intermediates and aripiprazole CYP2J2, CYP2B6, CYP2C19 HRH3 431/4885BRD4 339/4885MAOB 328/4885
US-20080299216-A1 DEUTERIUM-ENRICHED ARIPIPRAZOLE SLC6A3, AASDHPPT, MC2R HRH3 266/4885BRD4 216/4885MAOB 1089/4885

“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.