SCHEMBL4497186

SCHEMBL4497186

O=CC1CCc2[nH]c3ccc(F)cc3c2C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VPS4B O75351 1/20 0.51
VCP P55072 1/20 0.51
BAZ2B Q9UIF8 1/20 0.47
HTR1F P30939 1/20 0.46
HTR1B P28222 2/20 0.45
KMT2A Q03164 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
DRD2 P14416 8/20 0.44
SLC6A4 P31645 8/20 0.44
HTR2B P41595 3/20 0.44
HTR2A P28223 2/20 0.44
HTR1D P28221 1/20 0.43
MEN1 O00255 1/20 0.43
ACHE P22303 1/20 0.43
MAPT P10636 1/20 0.42
MAPKAPK2 P49137 1/20 0.42

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
SCHEMBL5792072 0.89 SIGMAR1 (0.45) VPS4BVCPBAZ2BSIGMAR1DRD2
SCHEMBL4903902 0.80 HTR1D (0.69) BAZ2BHTR1BKMT2AHTR2BHTR2A
SCHEMBL833780 0.80 HTR1B (0.65) VPS4BVCPBAZ2BHTR1FHTR1B
SCHEMBL833781 0.80 HTR1B (0.65) VPS4BVCPBAZ2BHTR1FHTR1B
SCHEMBL833788 0.80 HTR1B (0.65) VPS4BVCPBAZ2BHTR1FHTR1B
SCHEMBL13478770 0.80 KMT2A (0.64) VPS4BVCPBAZ2BHTR1FHTR1B
SCHEMBL7066276 0.80 NR2E1 (0.63) HTR2A
SCHEMBL25498044 0.79 VPS4B (0.49) VPS4BVCPBAZ2BHTR1FHTR1B
SCHEMBL4899304 0.78 HTR1B (0.52) VPS4BVCPBAZ2BHTR1FHTR1B
SCHEMBL4895910 0.78 HTR1B (0.52) VPS4BVCPBAZ2BHTR1FHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
CN-102791689-A 3- (heteroaryl-amino) -1,2,3, 4-tetrahydro-9H-carbazole derivatives and their use as prostaglandin D2 receptor modulators ACTELION PHARMACEUTICALS LTD 2012-11-21 CN disclosed
US-7495111-B2 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2009-02-24 US disclosed
EP-1893617-A1 TRICYCLIC COMPOUNDS USEFUL AS SEROTONIN INHIBITORS AND 5-HT1A AGONISTS AND ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP disclosed
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists WYETH (US) 2007-06-28 US disclosed
WO-2006138549-A1 TRICYCLIC COMPOUNDS USEFUL AS SEROTONIN INHIBITORS AND 5-HT1A AGONISTS AND ANTAGONISTS WYETH (US) 2006-12-28 WO disclosed
EP-1651637-A1 3-AMINO CHROMAN AND 2-AMINO TETRALIN DERIVATIVES Wyeth (US) 2006-05-03 EP disclosed
US-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives WYETH (US) 2005-02-10 US disclosed
WO-2005012291-A1 3-AMINO CHOMAN AND 2-AMINO TETRALIN DERIVATIVES WYETH (US) 2005-02-10 WO 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-20050032873-A1 3-Amino chroman and 2-amino tetralin derivatives TPH2, HTR2C, HTR7 VPS4B 3544/4885VCP 4410/4885BAZ2B 4795/4885
US-20070149585-A1 Compounds useful as serotonin inhibitors and 5-HT1A agonists and antagonists HTR1A, HTR7, HTR3A VPS4B 4279/4885VCP 4539/4885BAZ2B 4850/4885

“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.