SCHEMBL2676100

SCHEMBL2676100

Cc1nc(Cl)ccc1OC1(CC[C@H]2CCNC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 5/20 0.33
▸ SLC6A4 P31645 5/20 0.33
▸ SSTR4 P31391 1/20 0.31
▸ MAP2K1 Q02750 1/20 0.31
▸ HRH3 Q9Y5N1 4/20 0.31
▸ SLC6A3 Q01959 1/20 0.30
▸ HRH4 Q9H3N8 3/20 0.30
▸ CTSS P25774 1/20 0.30

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
SCHEMBL2675874 0.85 SLC6A2 (0.48) SLC6A2SLC6A4HRH3SLC6A3CTSS
SCHEMBL586670 0.78 AVPR2 (0.40) SLC6A2SLC6A4SSTR4
SCHEMBL2676099 0.72 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3
SCHEMBL1058592 0.68 HTR2C (0.37) SLC6A2SLC6A4MAP2K1SLC6A3
SCHEMBL1059129 0.68 SLC6A2 (0.46) SLC6A2SLC6A4SSTR4SLC6A3
SCHEMBL586304 0.67 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3
SCHEMBL935109 0.66 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL2675321 0.65 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL586232 0.65 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL1059551 0.65 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3

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
EP-2417124-B1 Serotonin and norepinephrine reuptake inhibitor LILLY CO ELI (US) 2013-12-18 — — EP disclosed
US-8173821-B2 Serotonin and norepinephrine reuptake inhibitor ELI LILLY AND COMPANY (US) 2012-05-08 — — US disclosed
US-20100261762-A1 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 — — 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-20100261762-A1 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR SLC6A2, SLC6A4, TPH1 SLC6A2 1/4885SLC6A4 2/4885SSTR4 339/4885

“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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