SCHEMBL6688928

SCHEMBL6688928

CN(C#N)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.75
▸ HRH3 Q9Y5N1 2/20 0.75
▸ SLC6A9 P48067 7/20 0.66
▸ SLC6A2 P23975 4/20 0.61
▸ SLC6A3 Q01959 4/20 0.61
▸ KCNK2 O95069 2/20 0.61
▸ KCNH2 Q12809 2/20 0.61
▸ CACNA1C Q13936 2/20 0.61
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ LMNA P02545 4/20 0.60
▸ NPC1 O15118 2/20 0.60
▸ CYP2D6 P10635 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ MTOR P42345 2/20 0.60
▸ RAB9A P51151 2/20 0.60
▸ CYP3A4 P08684 2/20 0.60
▸ HTR2C P28335 2/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ TP53 P04637 1/20 0.60

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
SCHEMBL29700710 0.86 SLC6A4 (1.00) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL679320 0.86 SLC6A4 (1.00) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL5570738 0.84 SLC6A4 (0.81) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL8971141 0.84 SLC6A4 (0.81) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL5409319 0.83 SLC6A4 (0.75) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL7943264 0.82 SLC6A4 (0.79) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL11925287 0.82 SLC6A4 (0.79) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL10076387 0.82 SLC6A4 (0.79) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL3415108 0.82 SLC6A4 (0.78) SLC6A4HRH3SLC6A9SLC6A2SLC6A3
SCHEMBL21034469 0.81 SLC6A4 (0.77) SLC6A4HRH3SLC6A9SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040156859-A1 GP-41 peptides, BBB peptides, anticancer agents, antihistamines, bronchodilators, hypotensive agents, antiangina agents, opioids, analgesics, antidepressants, and hypothyroid agents reactive with amino, hydroxyl or thiol groups CONJUCHEM, INC. (CA) 2004-08-12 — — US disclosed
US-6706892-B1 ADMINSTERING MALEIMIDE DERIVATIVE TO COVALENTLY BOND PROTEIN; WOUND HEALING, ANTIBIOTIC, ANTIINFLAMMATORY, ANTICARCINOGENIC, HYPOTENSIVE, AND ANALGESIC AGENTS CONJUCHEM, INC. (CA) 2004-03-16 — — US disclosed
EP-1235618-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS Conjuchem, Inc. (CA) 2002-09-04 — — EP disclosed
WO-2001017568-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS CONJUCHEM, INC. (CA) 2001-03-15 — — WO disclosed
EP-0929514-A1 PROCESS FOR THE PREPARATION OF FLUOXETINE EGIS GYOGYSZERGYAR RT. (HU) 1999-07-21 — — EP disclosed
WO-1998011054-A1 PROCESS FOR THE PREPARATION OF FLUOXETINE EGIS Gyógyszergyár Rt. (HU) 1998-03-19 — — WO disclosed
US-4626549-A Treatment of obesity with aryloxyphenylpropylamines ELI LILLY AND COMPANY (US) 1986-12-02 — — US disclosed
US-4314081-A ANTIDEPRESSANTS ELI LILLY AND COMPANY (US) 1982-02-02 — — US disclosed
US-4194009-A ANTIDEPRESSANT ELI LILLY AND COMPANY (US) 1980-03-18 — — US disclosed
US-4018895-A Aryloxyphenylpropylamines in treating depression ELI LILLY AND COMPANY (US) 1977-04-19 — — 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-20040156859-A1 GP-41 peptides, BBB peptides, anticancer agents, antihistamines, bronchodilators, hypotensive agents, antiangina agents, opioids, analgesics, antidepressants, and hypothyroid agents reactive with amino, hydroxyl or thiol groups OGFR, HDGF, SERPINA6 SLC6A4 729/4885HRH3 175/4885SLC6A9 1410/4885

“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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