SCHEMBL17005644

SCHEMBL17005644

NCCCCN1CCN(c2ccc3ccc(C(F)(F)F)cc3n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
HTR1A P08908 6/20 0.46
DRD2 P14416 4/20 0.45
DRD3 P35462 4/20 0.45
ADRA1A P35348 1/20 0.45
HTR3A P46098 5/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
DRD1 P21728 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL9602546 0.80 HTR1A (0.67) HRH3HTR1ADRD2DRD3HTR3A
SCHEMBL29634 0.78 HRH3 (0.57) HRH3HTR1AHTR3ASLC6A4
SCHEMBL16462804 0.76 ADRB2 (0.61) HRH3DRD2DRD3ADRA1A
SCHEMBL3679755 0.76 HTR1A (0.65) HRH3HTR1ADRD2DRD3HTR3A
SCHEMBL3201642 0.75 DRD2 (0.59) HTR1ADRD2DRD3SLC6A2SLC6A4
SCHEMBL3681494 0.74 HTR3A (0.77) HTR1AHTR3A
SCHEMBL29203 0.74 HRH3 (0.53) HRH3
SCHEMBL3209307 0.74 SIGMAR1 (0.71) HTR1ADRD2DRD3ADRA1ASIGMAR1
SCHEMBL17005654 0.71 DRD2 (0.56) DRD2DRD3
SCHEMBL25223898 0.70 SIGMAR1 (0.48) HTR1ADRD2DRD3DRD1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906221-B1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RES INST (US) 2019-05-15 EP disclosed
US-9969743-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2018-05-15 US disclosed
US-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE 2017-07-06 US disclosed
US-9598387-B2 Urea and amide derivatives of aminoalkylpiperazines and use thereof SOUTHERN RESEARCH INSTITUTE (US) 2017-03-21 US disclosed
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF SOUTHERN RESEARCH INSTITUTE (US) 2015-08-20 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 (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-20170190711-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF HTR2C, HTR4, HTR2A HRH3 89/4885HTR1A 24/4885DRD2 4/4885
US-20150232435-A1 UREA AND AMIDE DERIVATIVES OF AMINOALKYLPIPERAZINES AND USE THEREOF DRD2, CHRM2, NPY2R HRH3 358/4885HTR1A 82/4885DRD2 1/4885

“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.