SCHEMBL5317596

SCHEMBL5317596

C=CCNN1CCN(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.44
DRD4 P21917 2/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 3/20 0.42
DRD2 P14416 2/20 0.42
MAPT P10636 5/20 0.41
HTR1A P08908 1/20 0.41
PHGDH O43175 1/20 0.41
MGLL Q99685 1/20 0.41
LMNA P02545 3/20 0.41
DRD3 P35462 1/20 0.41
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 1/20 0.40
TGM1 P22735 1/20 0.40
GAA P10253 1/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL8522925 0.77 SIGMAR1 (0.58) DRD4SIGMAR1LMNAGAA
SCHEMBL11667264 0.77 MAPT (0.33) MAPT
SCHEMBL3804983 0.77
SCHEMBL4252810 0.77 CHRNA7 (0.58) CHRNA7DRD4KCNH2SIGMAR1DRD2
SCHEMBL27413682 0.74 DRD2 (0.56) CHRNA7DRD4KCNH2SIGMAR1DRD2
SCHEMBL175992 0.73 CHRNA7 (0.58) CHRNA7DRD4KCNH2SIGMAR1DRD2
SCHEMBL8313424 0.72 MAPT (0.50) CHRNA7DRD4KCNH2SIGMAR1DRD2
SCHEMBL576814 0.72 LMNA (0.67) CHRNA7DRD4KCNH2SIGMAR1DRD2
SCHEMBL385012 0.72
SCHEMBL576454 0.72 LMNA (0.67) CHRNA7DRD4KCNH2SIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3090027-A None JP disclosed
JP-3007266-A None JP disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US disclosed
EP-1771448-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2007-04-11 EP disclosed
WO-2006050976-A1 AZAINDOLE CARBOXAMIDES SCHWARZ PHARMA AG (DE) 2006-05-18 WO disclosed
US-5075308-A Method for treating urinary obstruction HITACHI CHEMICAL CO., LTD. (JP) 1991-12-24 US disclosed
JP-H0390027-A DYSURIA REMEDY HITACHI CHEM CO LTD 1991-04-16 JP disclosed
JP-H037266-A 2-(4-PHENYL-1-PIPERAZINYLALKYL)AMINO-5-ETHYNYLPYRIMIDINE DERIVATIVE, ITS INTERMEDIATE AND PRODUCTION THEREOF SHIRATORI SEIYAKU KK 1991-01-14 JP 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-20070299091-A1 Azaindole Carboxamides TPH1, TPH2, HTR1A CHRNA7 59/4885DRD4 94/4885KCNH2 1223/4885

“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.