SCHEMBL2095757

SCHEMBL2095757

c1ccc(CN2CC[C@H]3C[N]C[C@H]32)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.47
SIGMAR1 Q99720 7/20 0.45
GBA1 P04062 1/20 0.43
ADK P55263 3/20 0.41
NPY1R P25929 1/20 0.41
HTT P42858 1/20 0.41
NPY2R P49146 1/20 0.41
ACHE P22303 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 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
SCHEMBL3176956 0.80 HTR1A (0.51) HTR1ASIGMAR1GBA1NPY1RHTT
SCHEMBL8301747 0.80 HTR1A (0.51) HTR1ASIGMAR1GBA1NPY1RHTT
SCHEMBL2885978 0.79 SIGMAR1 (0.54) HTR1ASIGMAR1GBA1NPY1RHTT
SCHEMBL8170356 0.75 HTR1A (0.65) HTR1ASIGMAR1
SCHEMBL8170360 0.75 HTR1A (0.65) HTR1ASIGMAR1
SCHEMBL652126 0.74 HTR1A (0.47) HTR1ASIGMAR1GBA1NPY1RHTT
SCHEMBL22605206 0.74 HTR1A (0.47) HTR1ASIGMAR1GBA1NPY1RHTT
SCHEMBL10078725 0.74 HTR1A (0.47) HTR1ASIGMAR1GBA1NPY1RHTT
SCHEMBL652125 0.74 HTR1A (0.47) HTR1ASIGMAR1GBA1NPY1RHTT
SCHEMBL9041117 0.73 HRH3 (0.58) HTR1ASIGMAR1ADK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 US claimed
US-8163769-B2 1,8-naphthyridine derivatives ABBOTT LABORATORIES (US) 2012-04-24 US disclosed
US-20030232818-A1 Antibacterial compounds ABBVIE INC. 2003-12-18 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-20030232818-A1 Antibacterial compounds PGLS, UGT1A1, CASP1 HTR1A 3690/4885SIGMAR1 517/4885GBA1 166/4885

“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.