SCHEMBL3943549

SCHEMBL3943549

O=C(O)Cc1ccc(-n2cnnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 1/20 1.00
NSD2 O96028 1/20 0.65
POLB P06746 1/20 0.65
GRK2 P25098 1/20 0.65
CASP6 P55212 1/20 0.65
CTDSP1 Q9GZU7 1/20 0.65
KLKB1 P03952 1/20 0.53
CTSB P07858 1/20 0.53
CA2 P00918 1/20 0.50
CAMK2A Q9UQM7 1/20 0.50
LMNA P02545 2/20 0.49
AKR1B1 P15121 1/20 0.48
ABCC4 O15439 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 1/20 0.47
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45

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
SCHEMBL7434598 0.79 TBXAS1 (0.68) QPCTNSD2POLBGRK2CASP6
SCHEMBL6790414 0.78 POLB (1.00) QPCTNSD2POLBGRK2CASP6
SCHEMBL69614 0.76 CA2 (0.79) QPCTNSD2POLBGRK2CASP6
SCHEMBL2730326 0.75 QPCT (0.60) QPCTPOLBLMNAGAAALDH1A1
SCHEMBL1664108 0.74 QPCT (0.58) QPCTPOLBCA2LMNATSHR
Hydrochloric Acid SCHEMBL25180348 0.73 CA2 (0.75) QPCTNSD2POLBGRK2CASP6
Hydrochloric Acid SCHEMBL6765874 0.73 CA2 (0.75) QPCTNSD2POLBGRK2CASP6
SCHEMBL24059106 0.72 ITGB3 (0.58) QPCTNSD2POLBGRK2CASP6
SCHEMBL9490844 0.72 QPCT (0.56) QPCTNSD2POLBGRK2CASP6
SCHEMBL2658779 0.72 QPCT (0.56) QPCTNSD2POLBGRK2CASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012164085-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-12-06 WO disclosed
US-7538222-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-7476682-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 US disclosed
US-7253186-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2007-08-07 US disclosed
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-05-04 US disclosed
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2004-06-03 US disclosed
EP-0056577-B1 TRIAZOLYL-COUMARIN DERIVATIVES, THEIR PREPARATION AND USE AS OPTICAL BRIGHTENING AGENTS SCINTILLATORS AND DYESTUFFS FOR LASERS BAYER AG (DE) 1984-12-19 EP disclosed
US-4426530-A Triazolylcoumarin compounds, and their preparation and use as optical brighteners, scintillators and laser dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1984-01-17 US disclosed
EP-0056577-A1 Triazolyl-coumarin derivatives, their preparation and use as optical brightening agents scintillators and dyestuffs for lasers BAYER AG (DE) 1982-07-28 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 (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-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B QPCT 1852/4885NSD2 1451/4885POLB 2313/4885
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B QPCT 1767/4885NSD2 1378/4885POLB 2265/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A QPCT 2836/4885NSD2 331/4885POLB 4145/4885
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B QPCT 1767/4885NSD2 1378/4885POLB 2265/4885

“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.