SCHEMBL6574583

SCHEMBL6574583

COc1cc(NCCN2C3C=C(c4ccc5ccccc5c4)CC2CC3)c2ncccc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
PHLPP2 Q6ZVD8 1/20 0.47
HSP90AA1 P07900 7/20 0.47
HSP90AB1 P08238 7/20 0.47
SLC6A4 P31645 1/20 0.47
HTR1A P08908 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
THRB P10828 2/20 0.44
RECQL P46063 2/20 0.44
RAB9A P51151 2/20 0.44
BLM P54132 2/20 0.44
TDP2 O95551 1/20 0.44

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
SCHEMBL6574590 1.00 SMN1; SMN2 (0.47) SMN1; SMN2CYP1A2CYP2D6CYP2C19HIF1A
SCHEMBL6574639 0.88 HTR1A (0.46) SMN1; SMN2CYP1A2CYP2D6CYP2C19HIF1A
SCHEMBL6574641 0.88 HTR1A (0.46) SMN1; SMN2CYP1A2CYP2D6CYP2C19HIF1A
SCHEMBL6574515 0.88 HTR1A (0.51) SLC6A4HTR1AALDH1A1MEN1KMT2A
SCHEMBL6575246 0.85 HTR1A (0.58) SLC6A4HTR1A
SCHEMBL6575241 0.85 HTR1A (0.58) SLC6A4HTR1A
SCHEMBL6573612 0.72 HTR1A (0.52) SLC6A4HTR1A
SCHEMBL6575331 0.71 HTR1A (0.57) SLC6A4HTR1A
SCHEMBL6574487 0.71 HTR1A (0.57) SLC6A4HTR1A
SCHEMBL6574406 0.71 HTR1A (0.57) SLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390364-B1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-09-29 EP claimed
EP-1390364-A1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION Wyeth (US) 2004-02-25 EP claimed
US-6632824-B2 Have the ability to act at the 5-HT transporter. WYETH 2003-10-14 US claimed
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression WYETH 2003-02-13 US claimed
WO-2002096906-A1 ARYL-8-AZABICYCLO[3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-12-05 WO claimed
EP-1390364-B1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2004-09-29 EP disclosed
EP-1390364-A1 ARYL-8-AZABICYCLO 3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION Wyeth (US) 2004-02-25 EP disclosed
US-6632824-B2 Have the ability to act at the 5-HT transporter. WYETH 2003-10-14 US disclosed
US-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression WYETH 2003-02-13 US disclosed
WO-2002096906-A1 ARYL-8-AZABICYCLO[3.2.1]OCTANES FOR THE TREATMENT OF DEPRESSION WYETH (US) 2002-12-05 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 (1 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-20030032645-A1 Aryl-8-azabicyclo [3.2.1] octanes for the treatment of depression HTR1A, HTR1D, HTR2C SMN1; SMN2 3226/4885CYP1A2 80/4885CYP2D6 256/4885

“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.