SCHEMBL499757

SCHEMBL499757

NCCCOc1cccc(CCCc2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.53
KCNH2 Q12809 1/20 0.52
HTR2A P28223 1/20 0.52
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
BCHE P06276 1/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
TAAR1 Q96RJ0 2/20 0.49
MAOB P27338 1/20 0.47

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
SCHEMBL2207165 0.93 MAOA (0.53) MAOAKCNH2DRD2DRD4DRD3
SCHEMBL612689 0.93 TAAR1 (0.58) MAOAKCNH2HTR2ADRD2DRD4
SCHEMBL2208821 0.92 MAOA (0.52) MAOAKCNH2DRD2DRD4DRD3
SCHEMBL20332570 0.90 KCNA3 (0.53) MAOAKCNH2DRD2DRD4DRD3
SCHEMBL610541 0.90 TAAR1 (0.58) MAOAKCNH2DRD2DRD4DRD3
SCHEMBL611324 0.86 TAAR1 (0.62) MAOAKCNH2HTR2ACYP4F2CYP4A11
SCHEMBL29818724 0.85 TAAR1 (0.60) MAOAKCNH2HTR2ADRD2DRD4
SCHEMBL2208245 0.85 TAAR1 (0.60) MAOAKCNH2HTR2ADRD2DRD4
SCHEMBL2206195 0.83 CYP4F2 (0.66) MAOABCHECYP4F2CYP4A11MAOB
SCHEMBL9819872 0.83 DRD2 (0.50) MAOAKCNH2DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436183-B2 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20120130076-A1 Synthetic Multimerizing Agents ARIAD PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-8106191-B2 Compounds based on N- acyl-pipecolyl and N-acyl-prolyl ligand moieties for multimerizing chimeric proteins containing immunophilin-derived domains ARIAD PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
EP-0888303-B1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD PHARMA INC (US) 2010-04-21 EP disclosed
EP-0776327-B1 NEW MULTIMERIZING AGENTS ARIAD GENE THERAPEUTICS INC (US) 2005-07-06 EP disclosed
US-20040006233-A1 Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. 2004-01-08 US disclosed
US-20030036654-A1 Synthetic multimerizing agents HOLT DENNIS A (US) 2003-02-20 US disclosed
US-20020161240-A1 Synthetic multimerizing agents ARIAD GENE THERAPEUTICS, INC. 2002-10-31 US disclosed
US-6150527-A Synthetic multimerizing agents ARIAD PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-6133456-A DIMERS OF THE MACROCYCLIC NATURAL PRODUCT, FK506, COVALENTLY ATTACHED TO EACH OTHER VIA A SYNTHETIC LINKER MOIETY ARIAD GENE THERAPEUTICS, INC. (US) 2000-10-17 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 (4 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-20020161240-A1 Synthetic multimerizing agents SSB, F13B, LCP2 MAOA 3442/4885KCNH2 3811/4885HTR2A 4336/4885
US-20120130076-A1 Synthetic Multimerizing Agents FKBP1B, FKBP2, FKBP14 MAOA 2979/4885KCNH2 4302/4885HTR2A 3828/4885
US-20040006233-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 MAOA 2838/4885KCNH2 4229/4885HTR2A 3722/4885
US-20030036654-A1 Synthetic multimerizing agents FKBP1B, FKBP2, FKBP14 MAOA 3659/4885KCNH2 4432/4885HTR2A 2912/4885

“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.