SCHEMBL5444180

SCHEMBL5444180

Clc1ccccc1CC(c1ccccc1)N1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 20/20 1.00
▸ SLC6A2 P23975 18/20 1.00
▸ SLC6A3 Q01959 8/20 1.00
▸ CYP2D6 P10635 2/20 0.97
▸ CYP1A2 P05177 1/20 0.97
▸ CYP2C9 P11712 1/20 0.97
▸ CYP2C19 P33261 1/20 0.97
▸ HTR7 P34969 1/20 0.65
▸ KCNH2 Q12809 1/20 0.65

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
Hydrochloric Acid SCHEMBL5448221 0.99 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL5444520 0.95 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL5445154 0.90 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL5458928 0.89 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
Trifluoroacetic Acid SCHEMBL5446659 0.89 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL5450614 0.86 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL5449348 0.86 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL5453605 0.82 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL5458859 0.82 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2
SCHEMBL31061072 0.82 SLC6A2 (1.00) SLC6A4SLC6A2SLC6A3CYP2D6CYP1A2

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-20070105870-A1 Piperazine derivatives which exhibit activity as serotonin and noradrenaline re-uptake inhibitors PFIZER INC. 2007-05-10 — — US claimed
US-20070105870-A1 Piperazine derivatives which exhibit activity as serotonin and noradrenaline re-uptake inhibitors PFIZER INC. 2007-05-10 — — US disclosed
US-20070105870-A1 Piperazine derivatives which exhibit activity as serotonin and noradrenaline re-uptake inhibitors PFIZER INC. 2007-05-10 — — 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-20070105870-A1 Piperazine derivatives which exhibit activity as serotonin and noradrenaline re-uptake inhibitors HTR3A, HTR3C, CYP4F3 SLC6A4 26/4885SLC6A2 8/4885SLC6A3 22/4885

“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.

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