SCHEMBL6574538

SCHEMBL6574538

COc1ccc2cc(C3(O)CC4CCC(C3)N4C(=O)OC(C)(C)C)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
BACE1 P56817 2/20 0.42
CTSD P07339 1/20 0.42
CTSE P14091 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6574677 0.89 DRD2 (0.45) GRM5CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL3546251 0.80 JAK1 (0.46) CHRM2CHRM1CHRM3ALDH1A1KDM4E
SCHEMBL5829461 0.80 SLC6A2 (0.52) ALDH1A1KDM4EMEN1LMNAGLA
SCHEMBL5829462 0.80 SLC6A2 (0.52) ALDH1A1KDM4EMEN1LMNAGLA
SCHEMBL24700590 0.78 CHRM2 (0.49) GRM5CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL12345392 0.78 CHRM2 (0.49) GRM5CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL547045 0.78 CHRM2 (0.50) CHRM2CHRM1CHRM3ALDH1A1KDM4E
SCHEMBL7967262 0.78 ALDH1A1 (0.49) BACE1CTSDCTSEALDH1A1MEN1
SCHEMBL547046 0.78 CHRM2 (0.50) CHRM2CHRM1CHRM3ALDH1A1KDM4E
SCHEMBL5759621 0.78 KDM4E (0.41) BACE1CTSDCTSEALDH1A1KDM4E

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
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 GRM5 112/4885BACE1 1912/4885CTSD 3969/4885

“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.