SCHEMBL6482800

SCHEMBL6482800

COc1ccc2c(c1)C(C(=O)O)CN(C)C2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.60
SLC6A4 P31645 6/20 0.60
SLC6A3 Q01959 6/20 0.60
SIGMAR1 Q99720 2/20 0.42
DRD1 P21728 2/20 0.42
DRD5 P21918 2/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MTNR1B P49286 1/20 0.41
MAPT P10636 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
MTNR1A P48039 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
SCHEMBL5181136 0.85 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3MTNR1BSIRT1
SCHEMBL18034982 0.80 SLC6A4 (0.62) SLC6A2SLC6A4SLC6A3SIGMAR1DRD1
SCHEMBL6493845 0.80 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL1520733 0.79 SIRT1 (0.45) MTNR1BSIRT1MTNR1A
SCHEMBL1842495 0.77 MTNR1A (0.56) MTNR1BMTNR1A
SCHEMBL30746730 0.77 MTNR1A (0.56) MTNR1BMTNR1A
SCHEMBL16624303 0.77 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3SIGMAR1DRD1
SCHEMBL18034954 0.77 SLC6A4 (0.62) SLC6A2SLC6A4SLC6A3SIGMAR1DRD1
SCHEMBL12699778 0.76 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL9628615 0.75 MTNR1A (0.54) MTNR1BMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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 (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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 SLC6A2 628/4885SLC6A4 491/4885SLC6A3 198/4885

“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.