SCHEMBL2193252

SCHEMBL2193252

Cc1ccc(N2CCN(CCn3ccc4c3CCCC4=O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PABPC1 P11940 1/20 0.45
TSHR P16473 1/20 0.45
DRD2 P14416 2/20 0.43
DRD3 P35462 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
HTR1A P08908 1/20 0.42
DRD4 P21917 2/20 0.42
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
HTR7 P34969 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2191495 0.93 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2APABPC1
SCHEMBL2192247 0.93 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2APABPC1
SCHEMBL2194422 0.88 HTR1A (0.47) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2196865 0.88 HTR1A (0.47) DRD2DRD3ADRA1DADRA1AADRA1B
SCHEMBL2195771 0.88 ADRA1D (0.42) DRD2ADRA1DADRA1AADRA1BHTR1A
SCHEMBL2193588 0.87 DRD2 (0.51) ALDH1A1MEN1KMT2ADRD2DRD3
SCHEMBL2194339 0.87 DRD4 (0.45) ALDH1A1SMN1; SMN2MEN1KMT2APABPC1
SCHEMBL12418239 0.86 KCNH2 (0.52) ALDH1A1SMN1; SMN2TSHRDRD2DRD3
SCHEMBL2850938 0.85 DRD2 (0.44) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL2196037 0.85 HTR7 (0.45) DRD2DRD3ADRA1DADRA1AADRA1B

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 9 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-8598180-B2 Tetrahydroindolone derivatives for treatment of neurological conditions ABRAXIS BIOSCIENCE, INC. (US) 2013-12-03 US disclosed
EP-1715921-B1 Tetrahydroindolone derivatives for treatment of neurological conditions ABRAXIS BIOSCIENCE INC (US) 2013-04-24 EP disclosed
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS ABRAXIS BIOSCIENCE, INC. 2011-07-14 US disclosed
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS ABRAXIS BIOSCIENCE, INC. 2010-12-02 US disclosed
US-7795266-B2 Tetrahydroindolone derivatives for treament of neurological conditions ABRAXIS BIOSCIENCE, INC. 2010-09-14 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
US-20070208030-A1 Tetrahydroindolone Derivatives for Treament of Neurological Conditions ABRAXIS BIOSCIENCE, INC. (US) 2007-09-06 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 (6 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-20070208030-A1 Tetrahydroindolone Derivatives for Treament of Neurological Conditions TPH2, TPH1, GRIK5 ALDH1A1 824/4885SMN1; SMN2 83/4885MEN1 2838/4885
US-20090156609-A1 TREATMENT OF POST-TRAUMATIC STRESS DISORDER WITH TETRAHYDROINDOLONE ARYLPIPERZAINE COMPOUNDS HTR5A, HTR2C, HTR3B ALDH1A1 886/4885SMN1; SMN2 4626/4885MEN1 4814/4885
US-20110172242-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR ALDH1A1 559/4885SMN1; SMN2 3984/4885MEN1 3457/4885
US-20150051219-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR ALDH1A1 559/4885SMN1; SMN2 3984/4885MEN1 3457/4885
US-20100305141-A1 TETRAHYDROINDOLONE DERIVATIVES FOR TREATMENT OF NEUROLOGICAL CONDITIONS NLN, CYP11B2, GRIN2C ALDH1A1 895/4885SMN1; SMN2 160/4885MEN1 3593/4885
US-20090264443-A1 TREATMENT OF ORGANOPHOSPHATE EXPOSURE WITH TETRAHYDROINDOLONE ARYLPIPERAZINE COMPOUNDS DDT, CYP4X1, AHR ALDH1A1 559/4885SMN1; SMN2 3984/4885MEN1 3457/4885

“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.