SCHEMBL4933860

SCHEMBL4933860

COc1ccc(-c2ccnc(CCCCN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2N)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.53
HTR2C P28335 3/20 0.53
HTR7 P34969 3/20 0.53
HTR1A P08908 2/20 0.53
HTR6 P50406 2/20 0.53
SIGMAR1 Q99720 2/20 0.52
ABCB1 P08183 2/20 0.51
DRD2 P14416 4/20 0.49
ADRA1A P35348 2/20 0.49
DRD3 P35462 2/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL4933231 0.93 ABCB1 (0.55) HTR2AHTR2CHTR7HTR1AHTR6
SCHEMBL4929095 0.92 SIGMAR1 (0.52) HTR2AHTR2CHTR7HTR1AHTR6
SCHEMBL4925426 0.90 SIGMAR1 (0.55) HTR2AHTR7HTR1AHTR6SIGMAR1
SCHEMBL4932898 0.89 SIGMAR1 (0.54) HTR2AHTR7HTR1AHTR6SIGMAR1
SCHEMBL5181068 0.89 SIGMAR1 (0.61) HTR2AHTR7HTR1AHTR6SIGMAR1
SCHEMBL4925408 0.88 SIGMAR1 (0.52) HTR2AHTR7HTR1ASIGMAR1DRD2
SCHEMBL4932917 0.88 SIGMAR1 (0.56) HTR2CHTR7HTR1ASIGMAR1DRD2
Hydrochloric Acid SCHEMBL4925988 0.88 SIGMAR1 (0.60) HTR2AHTR7HTR1AHTR6SIGMAR1
SCHEMBL4935689 0.87 SIGMAR1 (0.50) HTR7HTR1ASIGMAR1DRD2ADRA1A
SCHEMBL4931573 0.87 SIGMAR1 (0.50) HTR2AHTR7HTR1ASIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7432269-B2 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2008-10-07 US disclosed
US-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES CAPET MARC 2008-07-10 US disclosed
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents BIOPROJET (FR) 2006-04-27 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-20080167320-A1 NOVEL ARYLPIPERAZINE DERIVATIVES DRD2, HTR2C, DRD3 HTR2A 9/4885HTR2C 2/4885HTR7 27/4885
US-20060089364-A1 Arylpiperaszine derivatives, to the process for the production thereof and to the use thereof as therapeutic agents CYP4Z1, CYP3A5, CYP1A2 HTR2A 369/4885HTR2C 522/4885HTR7 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.