SCHEMBL592017

SCHEMBL592017

CC(C)C[C@H](O)[C@H]1CCN(Cc2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.45
▸ ELANE P08246 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ ACE P12821 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KMT2A Q03164 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
SCHEMBL585894 1.00 APP (0.45) APPELANEHDAC1HDAC8HDAC6
SCHEMBL27845692 1.00 APP (0.45) APPELANEHDAC1HDAC8HDAC6
SCHEMBL7780936 0.86 HDAC1 (0.46) ELANEHDAC1HDAC8HDAC6ACE
SCHEMBL7782731 0.86 HDAC1 (0.46) ELANEHDAC1HDAC8HDAC6ACE
SCHEMBL7779878 0.86 HDAC1 (0.46) ELANEHDAC1HDAC8HDAC6ACE
SCHEMBL7779876 0.86 HDAC1 (0.46) ELANEHDAC1HDAC8HDAC6ACE
SCHEMBL7775653 0.86 HDAC1 (0.46) ELANEHDAC1HDAC8HDAC6ACE
SCHEMBL17138602 0.83 ELANE (0.46) ELANEHDAC1HDAC8HDAC6POLB
SCHEMBL28613404 0.81 ALDH1A1 (0.47) ELANEHDAC1HDAC8HDAC6KMT2A
SCHEMBL13326693 0.80 HDAC1 (0.46) HDAC1HDAC8HDAC6POLBCYP2D6

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 8 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-8173821-B2 Serotonin and norepinephrine reuptake inhibitor ELI LILLY AND COMPANY (US) 2012-05-08 — — US disclosed
CN-102388036-A Serotonin and norepinephrine reuptake inhibitor LILLY CO ELI 2012-03-21 — — CN disclosed
EP-2417124-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR Eli Lilly and Company (US) 2012-02-15 — — EP disclosed
WO-2010117979-A2 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 — — WO disclosed
US-20100261762-A1 SEROTONIN AND NOREPINEPHRINE REUPTAKE INHIBITOR ELI LILLY AND COMPANY (US) 2010-10-14 — — 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 APP 1373/4885ELANE 3728/4885HDAC1 3170/4885

“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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