SCHEMBL2196552

SCHEMBL2196552

O=C1CCCc2c1ccn2CCCCCN1CCN(c2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.45
KCNH2 Q12809 2/20 0.45
DRD2 P14416 6/20 0.44
DRD3 P35462 2/20 0.44
HTR1A P08908 9/20 0.41
HTR2A P28223 5/20 0.41
HTR6 P50406 4/20 0.41
HTR2C P28335 1/20 0.40
HRH1 P35367 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 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
SCHEMBL1255390 1.00 HTR7 (0.45) HTR7KCNH2DRD2DRD3HTR1A
SCHEMBL2195717 0.99 HTR7 (0.46) HTR7KCNH2DRD2DRD3HTR1A
SCHEMBL2194495 0.97 DRD2 (0.45) HTR7KCNH2DRD2DRD3HTR1A
SCHEMBL2196523 0.93 DRD2 (0.49) HTR7KCNH2DRD2DRD3HTR1A
SCHEMBL2196819 0.90 HTR1A (0.46) HTR7KCNH2DRD2DRD3HTR1A
SCHEMBL1254885 0.90 HTR7 (0.48) HTR7KCNH2DRD2DRD3HTR1A
SCHEMBL3435445 0.89 HTR7 (0.42) HTR7KCNH2DRD2DRD3HTR1A
SCHEMBL2194603 0.88 DRD2 (0.46) HTR7KCNH2DRD2DRD3HTR1A
SCHEMBL2194951 0.88 DRD2 (0.46) HTR7KCNH2DRD2DRD3HTR1A
SCHEMBL2197948 0.87 KDM4E (0.50) HTR7DRD2DRD3HTR1AHTR2A

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 HTR7 20/4885KCNH2 2735/4885DRD2 21/4885
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR7 199/4885KCNH2 2172/4885DRD2 1585/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR7 199/4885KCNH2 2172/4885DRD2 1585/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR HTR7 199/4885KCNH2 2172/4885DRD2 1585/4885

“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.