SCHEMBL2214019

SCHEMBL2214019

CC(=O)c1ccc(OCCCC(=O)O)cc1F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.58
MAOA P21397 1/20 0.56
FFAR4 Q5NUL3 5/20 0.55
FFAR1 O14842 3/20 0.55
PPARD Q03181 1/20 0.53
CYSLTR2 Q9NS75 2/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46

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
SCHEMBL18758109 0.86 MAOB (0.62) MAOBMAOAPPARDRARARARB
SCHEMBL5260336 0.85 MAOB (0.62) MAOBMAOAPPARD
SCHEMBL21052036 0.84 PPARD (0.74) MAOBMAOAPPARD
SCHEMBL2215253 0.84 PPARD (0.55) MAOBFFAR4FFAR1PPARDCYSLTR2
SCHEMBL8992391 0.82 MAOB (0.58) MAOBMAOARARARARB
SCHEMBL9720060 0.82 MAOB (0.58) MAOBMAOARARARARB
SCHEMBL3849764 0.82 MAOB (0.61) MAOBMAOAPPARDRARARARB
SCHEMBL8760010 0.81 MAOB (0.57) MAOBMAOA
SCHEMBL21098685 0.81 CYSLTR2 (0.53) FFAR4FFAR1PPARDCYSLTR2CYSLTR1
SCHEMBL14356128 0.80 MAOB (0.66) MAOBMAOA

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-1389616-B1 3,4-Dihalobenzylpiperidine derivatives and their medical use MITSUBISHI TANABE PHARMA CORP (JP) 2011-07-27 EP disclosed
CN-100384838-C Novel benzylpiperidine compound MITSUBISHI PHARMA CORP (JP) 2008-04-30 CN disclosed
US-7115635-B2 Benzylpiperidine compound MITSUBISHI PHARMA CORPORATION (JP) 2006-10-03 US disclosed
US-20040158071-A1 Chemokine inhibitors and stability in blood MITSUBISHI PHARMA CORPORATION (JP) 2004-08-12 US disclosed
CN-1505626-A Novel benzylpiperidine compound ������ҩ��ʽ���� 2004-06-16 CN disclosed
EP-1389616-A1 NOVEL BENZYLPIPERIDINE COMPOUND Mitsubishi Pharma Corporation (JP) 2004-02-18 EP disclosed
EP-0689845-B1 Conjugates of methyltrithio antitumor agents and intermediates for their synthesis AMERICAN CYANAMID CO (US) 2002-09-04 EP disclosed
US-5877296-A REACTING DISULFIDE ANALOGS OF CALICHEAMICIN FAMILY WITH A CARRIER SUCH AS PROTEIN, PEPTIDE, MONO AND POLYCLONAL ANTIBODIES, THEIR ANTIGEN-RECOGNIZING FRAGMENTS AND CHEMICALLY OR GENETICALLY ENGINEERED COUNTERPARTS AMERICAN CYANAMID COMPANY (US) 1999-03-02 US disclosed
US-5773001-A ANTIGROWTH AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-30 US disclosed
US-5767285-A USEFUL FOR CONSTRUCTING DRUG CONJUGATES; ANTIBIOTIC ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1998-06-16 US disclosed
US-5739116-A DISULFIDE DERIVATIVE OF CALICHEAMICIN FAMILY; ANTITUMOR ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1998-04-14 US disclosed
EP-0689845-A2 Conjugates of methyltrithio antitumor agents and intermediates for their synthesis AMERICAN CYANAMID COMPANY (US) 1996-01-03 EP 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-20040158071-A1 Chemokine inhibitors and stability in blood CCL2, CXCR1, CCR5 MAOB 2634/4885MAOA 3205/4885FFAR4 1881/4885

“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.