SCHEMBL2912979

SCHEMBL2912979

CNC(=O)CC1CN(C)CCCN1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL2917177 0.90 REN (0.35) REN
SCHEMBL2914157 0.82 TSHR (0.38) SMN1; SMN2
SCHEMBL2917956 0.81 BRD4 (0.42) RENSMN1; SMN2
SCHEMBL2911062 0.81 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL2920276 0.78 DPP4 (0.38) SMN1; SMN2SIGMAR1
SCHEMBL714038 0.76 ADORA2A (0.40) SMN1; SMN2SIGMAR1
SCHEMBL719291 0.76 ADORA2A (0.40) SMN1; SMN2SIGMAR1
SCHEMBL2917401 0.76 POLB (0.40) SMN1; SMN2
SCHEMBL2919657 0.75 CXCR4 (0.30)
SCHEMBL2910055 0.74 CXCR4 (0.35) SMN1; SMN2

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-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-05-29 US disclosed
US-20080064682-A1 Pyrazole Derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-13 US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 US disclosed
EP-1803719-A1 1,5-DIHETEROCYCLE-1H-TRIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-07-04 EP disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP disclosed
EP-1762568-A1 PYRAZOLE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-14 EP disclosed
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 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 (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-20080125409-A1 1,5-Diheterocycle-1H-Triazole Derivative PTGS1, PTGER1, TBXA2R REN 506/4885SMN1; SMN2 3713/4885SIGMAR1 1015/4885
US-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 REN 307/4885SMN1; SMN2 3490/4885SIGMAR1 743/4885
US-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 REN 1029/4885SMN1; SMN2 3778/4885SIGMAR1 1082/4885
US-20080064682-A1 Pyrazole Derivatives NAT1, AR, CBR3 REN 217/4885SMN1; SMN2 3660/4885SIGMAR1 42/4885
US-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 REN 279/4885SMN1; SMN2 3027/4885SIGMAR1 3899/4885

“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.