SCHEMBL3914733

SCHEMBL3914733

Clc1ccc(CC2CNC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.50
SLC6A2 P23975 2/20 0.50
SLC6A3 Q01959 2/20 0.50
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
REN P00797 7/20 0.44
CTSD P07339 2/20 0.44
CTSE P14091 2/20 0.44
PGC P20142 2/20 0.44
MAOB P27338 1/20 0.41

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
Hydrochloric Acid SCHEMBL29090963 0.98 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3ALDH1A1CYP3A4
SCHEMBL4308696 0.84 GBA1 (0.52) SLC6A4SLC6A2SLC6A3ALDH1A1
Trifluoroacetic Acid SCHEMBL5224978 0.83 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL13576618 0.81 KCNH2 (0.53) ALDH1A1
SCHEMBL13576643 0.81 KCNH2 (0.53) ALDH1A1
Tert-Butyl Formate SCHEMBL27615609 0.81 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3ALDH1A1CYP3A4
SCHEMBL1119467 0.79 ALDH1A1 (0.59) SLC6A4SLC6A2ALDH1A1CYP3A4
SCHEMBL894700 0.79 GBA1 (0.66) SLC6A4ALDH1A1CYP3A4
SCHEMBL26187362 0.78 GBA1 (0.39) SLC6A4SLC6A2
SCHEMBL17296085 0.78 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3

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
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 US disclosed
US-20210292305-A1 Cyclic Ureas SIRONAX LTD (KY) 2021-09-23 US disclosed
CN-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 CN disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
CN-101420959-A Use of 2- (purin-9-yl) -tetrahydrofuran-3, 4-diol derivatives as adenosine A2A receptor agonists NOVARTIS AG (CH) 2009-04-29 CN disclosed
EP-2018381-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 EP disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
CN-101128473-A Adenosine derivatives having a2a receptor activity NOVARTIS AG (CH) 2008-02-20 CN disclosed
EP-1861412-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY Novartis AG (CH) 2007-12-05 EP disclosed
WO-2007121918-A2 USE OF 2-(PURIN-9-YL)-TETRAHYDOFURAN-3,4-DIOL DERIVATIVES AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 WO disclosed
US-7288537-B2 Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2007-10-30 US disclosed
WO-2006097260-A1 ADENOSINE DERIVATIVES HAVING A2A RECEPTOR ACTIVITY NOVARTIS AG (CH) 2006-09-21 WO disclosed
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists NOVARTIS AG (CH) 2005-10-06 US disclosed
CN-1638761-A Azetidine derivatives as CCR-3 receptor antagonists NOVARTIS AG (CH) 2005-07-13 CN disclosed
EP-1487435-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS Novartis AG (CH) 2004-12-22 EP disclosed
WO-2003077907-A1 AZETIDINE DERIVATIVES AS CCR-3 RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2003-09-25 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 (4 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 SLC6A4 1827/4885SLC6A2 3167/4885SLC6A3 2165/4885
US-20050222118-A1 Azetidine derivatives as ccr-3 receptor antagonists CCR3, CCR1, CCR9 SLC6A4 1121/4885SLC6A2 1453/4885SLC6A3 372/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 SLC6A4 2321/4885SLC6A2 3439/4885SLC6A3 3067/4885
US-20210292305-A1 Cyclic Ureas RIPK1, RIPK3, RIPK4 SLC6A4 4608/4885SLC6A2 4844/4885SLC6A3 4703/4885

“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.