SCHEMBL1960175

SCHEMBL1960175

O=S(=O)(Nc1ccc2c(c1)CCNCC2)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.70
HTR2C P28335 5/20 0.61
DRD3 P35462 3/20 0.61
DRD2 P14416 2/20 0.61
HTR2A P28223 2/20 0.61
MLNR O43193 2/20 0.61
HTR2B P41595 3/20 0.59
LMNA P02545 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
THRB P10828 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PNMT P11086 1/20 0.51
MAPT P10636 1/20 0.49
KCNH2 Q12809 1/20 0.48
PKM P14618 2/20 0.48
POLB P06746 1/20 0.48
PKLR P30613 1/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL5781608 0.86 HTR6 (0.69) HTR6HTR2CDRD3DRD2HTR2A
SCHEMBL1961505 0.84 HTR6 (0.65) HTR6HTR2CDRD3DRD2HTR2A
SCHEMBL1946627 0.83 LMNA (0.77) HTR6HTR2CDRD3DRD2HTR2A
SCHEMBL5781306 0.82 HTR6 (1.00) HTR6HTR2CDRD3DRD2HTR2A
SCHEMBL1945834 0.81 HTR6 (0.85) HTR6HTR2CDRD3DRD2HTR2A
SCHEMBL1960721 0.80 DRD2 (0.51) HTR6HTR2CDRD3DRD2HTR2A
SCHEMBL1958071 0.80 HTR6 (0.70) HTR6HTR2CDRD3DRD2HTR2A
SCHEMBL6364800 0.80 HTR2C (0.72) HTR6HTR2CDRD3DRD2HTR2A
SCHEMBL1957102 0.79 KCNA1 (0.57) HTR6HTR2CDRD3DRD2HTR2A
Hydrochloric Acid SCHEMBL1960794 0.79 DRD2 (0.54) HTR6HTR2CDRD3DRD2HTR2A

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
US-8207160-B2 Tetrahydrobenzazepines and their use in he modulation of the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2012-06-26 US disclosed
EP-1694334-B1 TETRAHYDROBENZAZEPINES AND THEIR USE IN THE MODULATION OF THE DOPAMINE D3 RECEPTOR ABBOTT GMBH & CO KG (DE) 2011-10-19 EP disclosed
EP-2332543-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine D3 receptor Abbott GmbH & Co. KG (DE) 2011-06-15 EP disclosed
US-20090105224-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-04-23 US disclosed
US-20050137186-A1 Tetrahydrobenzazepines and their use ABBOTT GMBH & CO. KG. 2005-06-23 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-20050137186-A1 Tetrahydrobenzazepines and their use DRD3, ADRB3, AVPR1B HTR6 115/4885HTR2C 30/4885DRD3 1/4885
US-20090105224-A1 Tetrahydrobenzazepines and their use in the modulation of the dopamine d3 receptor DRD3, DRD2, ADRB3 HTR6 124/4885HTR2C 35/4885DRD3 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.