SCHEMBL3440339

SCHEMBL3440339

O=C(Cl)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 2/20 0.63
SCN4A P35499 2/20 0.60
MEN1 O00255 1/20 0.60
TSHR P16473 1/20 0.60
KMT2A Q03164 1/20 0.60
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HPGD P15428 1/20 0.57
S1PR1 P21453 1/20 0.56
ABL1 P00519 1/20 0.56
RIN1 Q13671 1/20 0.56
CYP2D6 P10635 1/20 0.56
BCHE P06276 1/20 0.55
ACHE P22303 1/20 0.55
BACE1 P56817 1/20 0.55
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54

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
SCHEMBL29032382 1.00 S1PR5 (0.63) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL3063205 0.91 KDM4E (0.69) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL3290324 0.90 MEN1 (0.68) MEN1TSHRKMT2AABL1RIN1
Hydrochloric Acid SCHEMBL4505675 0.89 KDM4E (0.67) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7828669 0.89 MEN1 (0.66) MEN1TSHRKMT2AABL1RIN1
SCHEMBL9037650 0.89 S1PR5 (0.77) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL27441592 0.89 S1PR5 (0.64) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL16301219 0.89 S1PR5 (0.77) S1PR5SCN4AMEN1TSHRKMT2A
SCHEMBL250506 0.89 S1PR5 (0.77) S1PR5SCN4AMEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL892739 0.87 S1PR5 (0.75) S1PR5SCN4AMEN1TSHRKMT2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116438174-A Compounds and their use as MIF inhibitors 南京艾美斐生物医药科技有限公司 2023-07-14 CN disclosed
US-20150274661-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS HOFFMANN-LA ROCHE INC. (US) 2015-10-01 US disclosed
EP-2909190-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS F. Hoffmann-La Roche AG (CH) 2015-08-26 EP disclosed
EP-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed
WO-2014060386-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-24 WO disclosed
EP-2722329-A1 Indol-amide compounds as beta-amyloid inhbitors F. Hoffmann-La Roche AG (CH) 2014-04-23 EP disclosed
EP-2061779-B1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INT (DE) 2013-11-06 EP disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8450306-B2 Bradykinin B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-28 US disclosed
US-8252785-B2 Aryl sulfonamides as bradykinin-B1-receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-28 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-20110021488-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-7858618-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
US-20090137545-A1 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-28 US disclosed
WO-2009021758-A1 ARYLSULFONAMIDES HAVING AN ANALGESIC EFFECT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed
EP-2025675-A1 Arylsulfonamides with analgetic activity Boehringer Ingelheim International GmbH (DE) 2009-02-18 EP disclosed
WO-2008022945-A1 ARYL SULFONAMIDES WITH AN ANALGESIC ACTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-28 WO 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 (3 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-20090137545-A1 Compounds ADORA2B, ABCB11, CYP11B1 S1PR5 655/4885SCN4A 2296/4885MEN1 434/4885
US-20110021488-A1 New Compounds ABCG2, ADORA2B, ADORA3 S1PR5 931/4885SCN4A 1485/4885MEN1 720/4885
US-20150274661-A1 INDOL-AMIDE COMPOUNDS AS BETA-AMYLOID INHBITORS APP, BACE1, IAPP S1PR5 1668/4885SCN4A 386/4885MEN1 1449/4885

“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.