SCHEMBL9105369

SCHEMBL9105369

NC[C@@H](Oc1ccc(C(F)(F)F)cc1)[C@H]1CCNC1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.60
▸ SLC6A4 P31645 7/20 0.60
▸ HTR2C P28335 2/20 0.40
▸ SLC6A3 Q01959 6/20 0.40
▸ KCNK2 O95069 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ CACNA1C Q13936 1/20 0.39
▸ SLC7A5 Q01650 3/20 0.37

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
SCHEMBL1057454 0.87 SLC6A2 (0.60) SLC6A2SLC6A4HTR2CSLC6A3
SCHEMBL1057456 0.87 SLC6A2 (0.60) SLC6A2SLC6A4HTR2CSLC6A3
SCHEMBL935461 0.85 SLC6A4 (0.58) SLC6A2SLC6A4HTR2CSLC6A3
SCHEMBL934674 0.85 SLC6A4 (0.58) SLC6A2SLC6A4HTR2CSLC6A3
SCHEMBL934702 0.85 SLC6A4 (0.58) SLC6A2SLC6A4HTR2CSLC6A3
SCHEMBL934704 0.85 SLC6A4 (0.58) SLC6A2SLC6A4HTR2CSLC6A3
SCHEMBL934676 0.85 SLC6A4 (0.58) SLC6A2SLC6A4HTR2CSLC6A3
SCHEMBL9108522 0.84 SLC6A2 (0.58) SLC6A2SLC6A4HTR2CSLC6A3KCNK2
SCHEMBL9108520 0.84 SLC6A2 (0.58) SLC6A2SLC6A4HTR2CSLC6A3KCNK2
SCHEMBL1059827 0.83 SLC6A2 (0.59) SLC6A2SLC6A4HTR2CSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8637568-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2014-01-28 — — US disclosed
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2013-11-07 — — US disclosed
US-8501964-B2 Serotonin reuptake inhibitors THERAVANCE, INC. (US) 2013-08-06 — — US disclosed
US-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS THERAVANCE, INC. (US) 2012-06-07 — — 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 (2 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-20120142689-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 SLC6A2 2/4885SLC6A4 1/4885HTR2C 13/4885
US-20130296322-A1 SEROTONIN REUPTAKE INHIBITORS SLC6A4, SLC6A2, TPH1 SLC6A2 2/4885SLC6A4 1/4885HTR2C 13/4885

“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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