SCHEMBL2195771

SCHEMBL2195771

O=C1CCCc2c1ccn2CCN1CCN(c2ccc(Br)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
HTR7 P34969 7/20 0.39
DRD2 P14416 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR6 P50406 1/20 0.39
DRD4 P21917 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL2195337 0.93 SLC6A2 (0.43) ADRA1DADRA1AADRA1BSLC6A2SLC6A4
SCHEMBL1255683 0.93 DRD2 (0.44) ADRA1DADRA1AADRA1BSLC6A2SLC6A4
SCHEMBL2194313 0.92 HTR1A (0.46) ADRA1DADRA1AADRA1BSLC6A2SLC6A4
SCHEMBL2194422 0.88 HTR1A (0.47) ADRA1DADRA1AADRA1BSLC6A4DRD2
SCHEMBL2196865 0.88 HTR1A (0.47) ADRA1DADRA1AADRA1BHTR7DRD2
SCHEMBL2193252 0.88 ALDH1A1 (0.45) ADRA1DADRA1AADRA1BHTR7DRD2
SCHEMBL2196037 0.85 HTR7 (0.45) ADRA1DADRA1AADRA1BSLC6A2SLC6A4
SCHEMBL2193588 0.85 DRD2 (0.51) ADRA1DADRA1AADRA1BHTR7DRD2
SCHEMBL3258946 0.84 KDM4E (0.47) ADRA1DADRA1AADRA1BSLC6A4DRD2
SCHEMBL2852888 0.84 MAPT (0.48) HTR7HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS HELTON DAVID REED (US) 2015-02-19 US disclosed
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2011-07-14 US disclosed
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-10-22 US disclosed
US-20090156609-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERZAINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2009-06-18 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 (4 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-20090156609-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERZAINE COMPOUNDS HTR5A, HTR2C, HTR3B ADRA1D 54/4885ADRA1A 176/4885ADRA1B 186/4885
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR ADRA1D 1911/4885ADRA1A 1874/4885ADRA1B 1796/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR ADRA1D 1911/4885ADRA1A 1874/4885ADRA1B 1796/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR ADRA1D 1911/4885ADRA1A 1874/4885ADRA1B 1796/4885

“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.