SCHEMBL4734874

SCHEMBL4734874

CC(N)CC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.66
SLC6A2 P23975 4/20 0.66
SLC6A3 Q01959 4/20 0.66
KCNK2 O95069 2/20 0.66
KCNH2 Q12809 2/20 0.66
CACNA1C Q13936 2/20 0.66
SLC7A5 Q01650 4/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
LMNA P02545 4/20 0.61
HRH3 Q9Y5N1 2/20 0.61
NPC1 O15118 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
MTOR P42345 2/20 0.61
RAB9A P51151 2/20 0.61
CYP3A4 P08684 2/20 0.61
HTR2C P28335 2/20 0.61
KDM4E B2RXH2 1/20 0.61
TP53 P04637 1/20 0.61

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
SCHEMBL13050366 1.00 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL13050367 1.00 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
Hydrochloric Acid SCHEMBL4777538 0.99 SLC6A4 (0.64) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL8025883 0.86 SLC6A4 (0.63) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7049659 0.85 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL2738930 0.82 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL5533205 0.82 SLC6A9 (0.46) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL10439502 0.82 SLC6A4 (0.61) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL7306077 0.80 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3KCNK2KCNH2
SCHEMBL3746826 0.80 SLC6A4 (0.66) SLC6A4SLC6A2SLC6A3KCNK2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154378-A1 SUBSTANCE USE DISORDER PREVENTION OR TREATMENT WITH LOW INTENSITY AND HIGH FREQUENCY MAGNETIC STIMULATION ACTIPULSE NEUROSCIENCE INC. (US) 2023-08-17 WO disclosed
EP-1434763-B1 BETA-LACTAMYL VASOPRESSIN V1A ANTAGONISTS AZEVAN PHARMACEUTICALS INC (US) 2018-01-17 EP disclosed
EP-2755644-A1 COMBINATIONS COMPRISING A S1P RECEPTOR MODULATOR Novartis AG (CH) 2014-07-23 EP disclosed
WO-2013037713-A1 COMBINATIONS COMPRISING A S1P RECEPTOR MODULATOR NOVARTIS AG (CH) 2013-03-21 WO disclosed
US-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AZEVAN PHARMACEUTICALS, INC. (US) 2008-05-15 US disclosed
WO-2008052086-A1 BENZODIOXANE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO disclosed
WO-2008052087-A1 CHROMANE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO disclosed
EP-1871755-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth (US) 2008-01-02 EP disclosed
WO-2006116150-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
EP-1691811-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION Sepracor, Inc. (US) 2006-08-23 EP disclosed
WO-2005060968-A1 COMBINATION OF A SEDATIVE AND A NEUROTRANSMITTER MODULATOR, AND METHODS FOR IMPROVING SLEEP QUALITY AND TREATING DEPRESSION SEPRACOR INC. (US) 2005-07-07 WO disclosed
EP-1397145-A2 USE OF COX-2 INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIA, DELUSIONAL DISORDERS, AFFECTIVE DISORDERS, AUTISM OR TIC DISORDERS Müller, Norbert (DE) 2004-03-17 EP disclosed
WO-2002102297-A2 USE OF COX-2 INHIBITORS FOR THE TREATMENT OF SCHIZOPHRENIA, DELUSIONAL DISORDERS, AFFECTIVE DISORDERS, AUTISM OR TIC DISORDERS MUELLER NORBERT (DE) 2002-12-27 WO disclosed
EP-0998467-A1 PREPARATION AND USE OF 2-METHYL-5-PHENYLISOXAZOLIDINE ALBEMARLE CORPORATION (US) 2000-05-10 EP disclosed
WO-1999005129-A1 PREPARATION AND USE OF 2-METHYL-5-PHENYLISOXAZOLIDINE ALBEMARLE CORPORATION (US) 1999-02-04 WO disclosed
EP-0343830-A2 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes ELI LILLY AND COMPANY (US) 1989-11-29 EP 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-20080113959-A1 {Beta}-Lactamyl vasopression V1a antagonists and methods of use AVPR1A, AVPR2, AVPR1B SLC6A4 555/4885SLC6A2 293/4885SLC6A3 442/4885

“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.