SCHEMBL4936112

SCHEMBL4936112

C=CCN(c1ccccc1)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.39
HTR3A P46098 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
ADRB1 P08588 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
SLC6A2 P23975 2/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
SLC6A4 P31645 1/20 0.33
ESR1 P03372 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL6436039 0.91 SLC6A2 (0.35) SIGMAR1HTR3AHTR3EHTR3BADRB1
SCHEMBL28884912 0.81 SIGMAR1 (0.42) SIGMAR1HTR3AHTR3EHTR3BADRB1
SCHEMBL10438671 0.75 SIGMAR1 (0.44) SIGMAR1HTR3AHTR3EHTR3BADRB1
SCHEMBL7416028 0.72 TACR1 (0.44) SIGMAR1
SCHEMBL11224700 0.70 SLC6A2 (0.44) SLC6A2ESR1S1PR1
SCHEMBL6206841 0.70
SCHEMBL3867501 0.69
SCHEMBL6430957 0.69 SLC6A2 (0.38) SLC6A2MEN1KMT2AESR1S1PR1
SCHEMBL736136 0.68 SIGMAR1 (0.46) SIGMAR1HTR3AHTR3EHTR3BADRB1
SCHEMBL21906494 0.68 SIGMAR1 (0.45) SIGMAR1HTR3AHTR3EHTR3BADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof SCHWARZ PHARMA AG (DE) 2008-02-28 US disclosed
US-20070299091-A1 Azaindole Carboxamides GMEINER PETER 2007-12-27 US disclosed
EP-1778685-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2007-05-02 EP 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
WO-2006015737-A1 INDOLIZINE CARBOXAMIDES AND THE AZA AND DIAZA DERIVATIVES THEREOF SCHWARZ PHARMA AG (DE) 2006-02-16 WO 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 (2 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 SIGMAR1 170/4885HTR3A 15/4885HTR3E 26/4885
US-20080051409-A1 Indolizine Carboxamides and Aza and Diaza Derivatives Thereof GRIN2A, GRIN2C, GRIN1 SIGMAR1 102/4885HTR3A 70/4885HTR3E 236/4885

“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.