SCHEMBL3422161

SCHEMBL3422161

CCC(=O)C12CCC(C[C@@H](c3ccc(F)cc3)C1)N2C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
SLC18A3 Q16572 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HRH1 P35367 1/20 0.38
CCR2 P41597 2/20 0.36
KCNH2 Q12809 2/20 0.36
MEN1 O00255 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A3 Q01959 4/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 2/20 0.34

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
SCHEMBL5637165 1.00 DRD2 (0.38) DRD2DRD4SLC18A3SIGMAR1HTR1A
SCHEMBL3421132 1.00 DRD2 (0.38) DRD2DRD4SLC18A3SIGMAR1HTR1A
SCHEMBL9405511 0.86 DRD2 (0.38) DRD2DRD4SLC18A3SIGMAR1HTR1A
SCHEMBL9405512 0.86 DRD2 (0.38) DRD2DRD4SLC18A3SIGMAR1HTR1A
SCHEMBL30899722 0.83 OPRK1 (0.42) CCR2KCNH2SLC6A3SLC6A2SLC6A4
SCHEMBL8481404 0.83 OPRK1 (0.42) CCR2KCNH2SLC6A3SLC6A2SLC6A4
SCHEMBL3420326 0.83 SLC6A3 (0.39) KCNH2SLC6A3SLC6A2SLC6A4
SCHEMBL3422690 0.83 SLC6A3 (0.39) KCNH2SLC6A3SLC6A2SLC6A4
SCHEMBL3420294 0.83 SLC6A3 (0.39) KCNH2SLC6A3SLC6A2SLC6A4
SCHEMBL5971900 0.80 CCR2 (0.39) DRD2DRD4SLC18A3SIGMAR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7105678-B2 Boat tropanes ORGANIX, INC. (US) 2006-09-12 US claimed
EP-1518562-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP claimed
EP-1518561-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP claimed
US-20020131931-A1 Boat tropanes WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-09-19 US claimed
EP-1051980-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-11-15 EP claimed
EP-1051980-B1 Dopamine transporter imaging agents HARVARD COLLEGE (US) 2010-12-15 EP disclosed
US-20090208415-A1 Tropane compounds PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-08-20 US disclosed
US-7476740-B2 Monoamine transporter inhibitors; used for early diagnosis and treatment of neurological and psychiatric conditions PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-01-13 US disclosed
US-20070009432-A1 Boat tropanes PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-01-11 US disclosed
US-7105678-B2 Boat tropanes ORGANIX, INC. (US) 2006-09-12 US disclosed
EP-1518562-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP disclosed
EP-1518561-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-03-30 EP disclosed
US-20030232819-A1 Tropane compounds WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2003-12-18 US disclosed
US-6548041-B1 Diagnosis, therapy of central nervous system disorders ORGANIX, INC. 2003-04-15 US disclosed
US-20020131931-A1 Boat tropanes WILMINGTON TRUST (LONDON) LIMITED, AS SECURITY AGENT (GB) 2002-09-19 US disclosed
EP-1238978-A2 Intermediates for the synthesis of radiolabelled tropanes PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2002-09-11 EP disclosed
EP-1051980-A2 Dopamine transporter imaging agents PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-11-15 EP 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-20020131931-A1 Boat tropanes SLC6A3, SLC18A2, SLC6A4 DRD2 10/4885DRD4 50/4885SLC18A3 5/4885
US-20030232819-A1 Tropane compounds TPM3, TPM4, ADRA2C DRD2 664/4885DRD4 507/4885SLC18A3 56/4885
US-20090208415-A1 Tropane compounds TPM3, TPM4, ADRA2C DRD2 664/4885DRD4 507/4885SLC18A3 56/4885
US-20070009432-A1 Boat tropanes SLC6A3, SLC18A2, SLC6A4 DRD2 10/4885DRD4 50/4885SLC18A3 5/4885

“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.